UCSF

ZINC39963990

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 30 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) 3.47 12.91 -13.99 1 7 0 76 426.904 7
Mid Mid (pH 6-8) 3.47 13.37 -35.97 2 7 1 78 427.912 7

Activity (Go SEA)

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