UCSF

ZINC05075377

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 20 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) 3.54 9.62 -39.99 1 3 1 25 354.293 2
Mid Mid (pH 6-8) 3.54 7.41 -8.7 0 3 0 24 353.285 2

Activity (Go SEA)

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