UCSF

ZINC06646076

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 25 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) 3.24 6.17 -18.74 2 6 0 78 336.395 3
Hi High (pH 8-9.5) 3.69 4.24 -61.45 1 6 -1 81 335.387 3
Hi High (pH 8-9.5) 3.69 4.54 -50.89 1 6 -1 81 335.387 3

Activity (Go SEA)

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