UCSF

ZINC44471387

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 15 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) -1.31 -0.2 -50.97 3 5 1 66 215.273 1
Hi High (pH 8-9.5) -1.31 -1.57 -10.49 2 5 0 62 214.265 1

Activity (Go SEA)

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