UCSF

ZINC00053775

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 18 Yes

CAS Number: 38370-61-5

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) 1.28 4.96 -63.65 1 5 -1 82 241.226 3
Lo Low (pH 4.5-6) 1.28 5.25 -76.49 2 5 0 83 242.234 3

Activity (Go SEA)

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