UCSF

ZINC44650586

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.96 4.7 -85.13 3 5 2 56 212.297 5
Hi High (pH 8-9.5) -0.96 2.92 -7.83 1 5 0 50 210.281 5
Mid Mid (pH 6-8) -0.96 4.28 -42.21 2 5 1 55 211.289 5

Activity (Go SEA)

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