UCSF

ZINC05117959

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 27 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) 3.92 12.24 -8.66 0 6 0 62 380.835 3
Mid Mid (pH 6-8) 3.92 12.72 -43.69 1 6 1 63 381.843 3

Activity (Go SEA)

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