UCSF

ZINC12296464

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2008 22 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) 2.28 -0.78 -14.04 1 5 0 64 293.326 3
Lo Low (pH 4.5-6) 2.28 -0.63 -27.75 2 5 1 65 294.334 3

Activity (Go SEA)

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