UCSF

ZINC45284741

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 25 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) 2.58 5.25 -37.64 3 5 1 57 340.447 6
Hi High (pH 8-9.5) 2.58 3.81 -45.25 1 5 -1 59 338.431 6
Mid Mid (pH 6-8) 2.58 5.32 -38.32 3 5 1 57 340.447 6
Mid Mid (pH 6-8) 2.58 3.05 -8.77 2 5 0 56 339.439 6

Activity (Go SEA)

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