UCSF

ZINC11959231

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2008 14 Yes

CAS Number: 192821-37-7

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) 1.31 3.29 -42.01 4 3 1 57 199.318 4

Activity (Go SEA)

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