UCSF

ZINC12576086

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 28 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) 2.46 9.17 -20.27 1 10 0 132 401.404 6
Mid Mid (pH 6-8) 2.46 9.5 -42.2 2 10 1 133 402.412 6

Activity (Go SEA)

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