UCSF

ZINC44676135

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 2.79 7.96 -117.75 4 2 2 33 234.387 7
Mid Mid (pH 6-8) 2.79 6.68 -36.27 3 2 1 29 233.379 7
Mid Mid (pH 6-8) 2.79 6.92 -39.2 3 2 1 29 233.379 7

Activity (Go SEA)

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