UCSF

ZINC42572894

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 11 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) -1.84 -3.49 -46.56 5 5 1 86 160.197 3
Hi High (pH 8-9.5) -1.84 -3.88 -9.95 4 5 0 84 159.189 3

Activity (Go SEA)

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