UCSF

ZINC40926696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 1.57 5.13 -25.4 3 4 1 58 206.269 2
Mid Mid (pH 6-8) 1.57 5.2 -8.63 2 4 0 57 205.261 2

Activity (Go SEA)

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