UCSF

ZINC05247747

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 22 No

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) 3.36 6.73 -5.75 2 3 0 45 294.398 3
Ref Reference (pH 7) 3.36 6.72 -5.66 2 3 0 45 294.398 3
Mid Mid (pH 6-8) 3.36 7.95 -41.3 3 3 1 49 295.406 3
Mid Mid (pH 6-8) 3.36 7.94 -40.58 3 3 1 49 295.406 3

Activity (Go SEA)

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