UCSF

ZINC41664762

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.78 1.17 -7.86 3 7 0 100 262.269 4
Mid Mid (pH 6-8) 1.24 -0.49 -37.68 2 7 -1 103 261.261 4

Activity (Go SEA)

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