UCSF

ZINC34721675

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 24 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) 4.25 6.49 -10.22 1 5 0 64 340.404 3
Hi High (pH 8-9.5) 4.25 7.71 -46.39 0 5 -1 67 339.396 3
Hi High (pH 8-9.5) 4.25 7.42 -45.66 0 5 -1 67 339.396 3

Activity (Go SEA)

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