UCSF

ZINC34529224

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 0.79 9.72 -89.8 2 6 0 82 347.802 3
Hi High (pH 8-9.5) 0.79 8.36 -64.94 1 6 -1 77 346.794 3
Lo Low (pH 4.5-6) -1.65 7.94 -78.25 3 6 1 84 348.81 3

Activity (Go SEA)

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