UCSF

ZINC34379026

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 39 No

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) 4.68 16.71 -48.9 2 10 1 110 525.589 8
Mid Mid (pH 6-8) 4.68 14.5 -11.54 1 10 0 109 524.581 8

Activity (Go SEA)

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