UCSF

ZINC84400879

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2013 0 No

Popular Name: Nicardipine Nicardipine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 54527-84-3 , 55985-32-5 , [54527-84-3] , [55985-32-5]

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) 5.00 15.4 -51.53 2 9 1 115 480.541 11 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.47e-03 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Indications Antihypertensive KeyOrganics Bioactives
Target Calcium Channel Selleck Chemicals
Target Others Selleck Chemicals

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.