UCSF

ZINC31964496

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 0.72 1.33 -61.53 5 5 1 86 236.295 4
Hi High (pH 8-9.5) 0.72 0.94 -17.02 4 5 0 84 235.287 4

Activity (Go SEA)

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