UCSF

ZINC09124513

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 34 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) 4.87 7.96 -15.07 3 7 0 99 463.578 9
Ref Reference (pH 7) 4.87 7.9 -12.42 3 7 0 99 463.578 9
Hi High (pH 8-9.5) 4.87 8.71 -50.45 2 7 -1 102 462.57 9
Hi High (pH 8-9.5) 4.64 7.74 -58.03 1 7 -1 98 462.57 9
Hi High (pH 8-9.5) 4.64 7.72 -55.68 1 7 -1 98 462.57 9

Activity (Go SEA)

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