UCSF

ZINC36878237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 3.27 8.12 -85.62 5 3 2 58 338.293 7
Mid Mid (pH 6-8) 3.27 7.72 -45.81 4 3 1 56 337.285 7

Activity (Go SEA)

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