UCSF

ZINC44725166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) -0.75 2.27 -40.96 2 5 1 55 219.305 9
Hi High (pH 8-9.5) -0.75 0.84 -11.5 1 5 0 51 218.297 9

Activity (Go SEA)

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