UCSF

ZINC13907153

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 34 Yes

Popular Name: Tiropramide Tiropramide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 55837-29-1 , 57227-16-4 , [53567-47-8]

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) 4.87 14.26 -44.31 2 6 1 63 468.662 15 ↓
Hi High (pH 8-9.5) 3.20 7.95 -42.38 2 8 1 73 479.399 6 ↓
Hi High (pH 8-9.5) 4.94 8.36 -17.32 1 6 0 65 467.654 15 ↓
Hi High (pH 8-9.5) 4.94 9.42 -14.45 1 6 0 65 467.654 15 ↓
Hi High (pH 8-9.5) 4.87 12.08 -14.61 1 6 0 62 467.654 15 ↓

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