UCSF

ZINC21992076

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 37 No

Popular Name: Benidipine hydrochloride Benidipine hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105979-17-7 , 119065-60-0 , 91599-74-5 , 91599-76-7 , [105979-17-7] , [91599-74-5]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.39 16.42 -49.79 2 9 1 115 506.579 9 ↓
Mid Mid (pH 6-8) 4.64 13.14 -37.06 0 9 -1 120 504.563 8 ↓
Mid Mid (pH 6-8) 4.64 13.13 -31.44 0 9 -1 120 504.563 8 ↓
Mid Mid (pH 6-8) 5.39 14.2 -18.74 1 9 0 114 505.571 9 ↓
Mid Mid (pH 6-8) 4.64 13.17 -38.54 0 9 -1 120 504.563 8 ↓

Vendor Notes

Note Type Comments Provided By
Indications Antihypertensive KeyOrganics Bioactives
Target calcium channel Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP010651b; 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP010651b; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )