UCSF

ZINC20254927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 25 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) 0.82 2.18 -85.84 5 6 2 74 353.507 11
Mid Mid (pH 6-8) 0.82 -0.13 -47.16 4 6 1 73 352.499 11

Activity (Go SEA)

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