UCSF

ZINC00601312

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 Yes

Popular Name: Cyclopenthiazide Cyclopenthiazide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 742-20-1 , [742-20-1]

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) 1.98 -1.44 -18.85 4 7 0 118 379.891 3 ↓
Hi High (pH 8-9.5) 1.98 -1.61 -45.11 3 7 -1 120 378.883 3 ↓

Activity (Go SEA)

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