UCSF

ZINC06497728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 23 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) 3.72 2.66 -11.52 1 6 0 76 309.325 4
Hi High (pH 8-9.5) 3.72 4.81 -55.87 0 6 -1 79 308.317 4
Hi High (pH 8-9.5) 3.72 3.45 -50.39 0 6 -1 79 308.317 4

Activity (Go SEA)

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