UCSF

ZINC37850462

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.32 -0.6 -44.12 4 4 1 66 230.259 7
Hi High (pH 8-9.5) 0.32 -2.02 -8.27 3 4 0 62 229.251 7

Activity (Go SEA)

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