UCSF

ZINC12438443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 22 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) 3.30 6.87 -12.89 1 5 0 64 296.326 3
Hi High (pH 8-9.5) 3.30 8.01 -64.79 0 5 -1 67 295.318 3
Hi High (pH 8-9.5) 3.30 7.18 -57.78 0 5 -1 67 295.318 3

Activity (Go SEA)

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