UCSF

ZINC41679286

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) 1.58 8.96 -56.75 0 6 -1 84 261.257 6
Mid Mid (pH 6-8) 1.58 9.44 -64.27 1 6 0 86 262.265 6

Activity (Go SEA)

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