UCSF

ZINC01719032

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 Yes

CAS Number: 4727-50-8

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) 1.04 -2.08 -30.11 3 3 1 44 210.297 6

Activity (Go SEA)

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