UCSF

ZINC20932807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 27 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) 4.41 8.54 -10.75 1 5 0 49 438.362 11
Mid Mid (pH 6-8) 4.41 9.96 -61.66 2 5 1 54 439.37 11

Activity (Go SEA)

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