UCSF

ZINC05113047

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 11 No

CAS Number: 74328-61-3

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) 2.44 0.34 -45.9 0 2 -1 40 175.273 7
Hi High (pH 8-9.5) 2.44 -0.62 -96.77 0 2 -2 40 174.265 7

Activity (Go SEA)

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