UCSF

ZINC21297271

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 36 No

Popular Name: Barnidipine Hydrochloride Barnidipine Hydrochloride

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CAS Numbers: 104713-75-9 , 104757-53-1 , 71863-55-3 , [104757-53-1]

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) 5.12 15.71 -50.37 2 9 1 115 492.552 9 ↓
Mid Mid (pH 6-8) 5.12 13.26 -18.06 1 9 0 114 491.544 9 ↓
Mid Mid (pH 6-8) 4.37 12.21 -36.75 0 9 -1 120 490.536 8 ↓

Activity (Go SEA)

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