UCSF

ZINC05202416

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 3.18 9.68 -38.9 1 3 1 25 289.424 2
Mid Mid (pH 6-8) 3.18 7.46 -9.07 0 3 0 24 288.416 2

Activity (Go SEA)

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