UCSF

ZINC41392469

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 16 Yes

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) 0.59 2.95 -40.08 2 5 1 56 227.284 7
Hi High (pH 8-9.5) 0.59 0.7 -11 1 5 0 55 226.276 7

Activity (Go SEA)

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