UCSF

ZINC20589224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 23 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) 0.81 3.17 -14.51 1 6 0 62 337.807 4
Mid Mid (pH 6-8) 0.81 5.44 -50.77 2 6 1 63 338.815 4

Activity (Go SEA)

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