UCSF

ZINC34553529

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 34 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) 5.96 16.93 -50.02 2 4 1 37 454.638 7
Mid Mid (pH 6-8) 5.96 14.73 -11.03 1 4 0 36 453.63 7

Activity (Go SEA)

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