UCSF

ZINC41671709

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 2.96 10.14 -42 1 4 0 59 286.356 4
Mid Mid (pH 6-8) 2.96 9.68 -50.78 0 4 -1 58 285.348 4

Activity (Go SEA)

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