UCSF

ZINC15443017

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 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) -3.17 0.49 -41.87 3 5 0 86 155.157 2
Hi High (pH 8-9.5) -3.17 1.13 -48.42 2 5 -1 84 154.149 2
Mid Mid (pH 6-8) -3.17 0.99 -71.98 4 5 1 87 156.165 2
Mid Mid (pH 6-8) -3.17 1.73 -37.56 3 5 0 85 155.157 2

Activity (Go SEA)

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