UCSF

ZINC05286147

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 11 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) 2.81 2.94 -31.36 0 3 -1 40 275.911 0
Mid Mid (pH 6-8) 2.81 2.94 -3.86 1 3 0 42 276.919 0

Activity (Go SEA)

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