UCSF

ZINC05072174

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 21 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) 5.10 10.96 -8.56 0 3 0 27 300.789 5
Mid Mid (pH 6-8) 5.10 11.4 -30.38 1 3 1 28 301.797 5

Activity (Go SEA)

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