UCSF

ZINC34837186

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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 14.46 -38.3 1 4 1 26 421.605 6
Mid Mid (pH 6-8) 5.96 15.12 -84.09 2 4 2 27 422.613 6

Activity (Go SEA)

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