UCSF

ZINC37847237

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) 0.84 2.31 -42.01 3 4 1 55 234.36 11
Hi High (pH 8-9.5) 0.84 0.89 -5.56 2 4 0 51 233.352 11

Activity (Go SEA)

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