UCSF

ZINC40720461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 22 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) 1.25 0.73 -48.73 1 8 -1 115 337.362 2
Hi High (pH 8-9.5) 1.44 0.63 -121.67 0 8 -2 122 336.354 2
Lo Low (pH 4.5-6) -0.33 1.85 -19.58 1 8 0 109 338.37 2

Activity (Go SEA)

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