UCSF

ZINC33212949

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2009 24 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) -0.04 5.38 -13.24 1 7 0 75 332.404 3
Lo Low (pH 4.5-6) -0.04 5.58 -45.39 2 7 1 76 333.412 3

Activity (Go SEA)

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