UCSF

ZINC40520702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 32 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) 1.02 7.44 -62.25 5 9 1 139 449.524 9
Hi High (pH 8-9.5) 1.02 6.6 -17.67 4 9 0 134 448.516 9
Hi High (pH 8-9.5) 1.02 7.98 -44.81 4 9 0 142 448.516 9

Activity (Go SEA)

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