UCSF

ZINC44693870

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) -0.35 2.44 -42.33 2 5 1 53 214.289 8
Hi High (pH 8-9.5) -0.35 1.02 -9.54 1 5 0 48 213.281 8

Activity (Go SEA)

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