UCSF

ZINC05251621

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 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) 1.95 2.09 -47.25 1 7 -1 104 286.267 5
Mid Mid (pH 6-8) 1.95 -1.02 -17.87 2 7 0 101 287.275 5

Activity (Go SEA)

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