UCSF

ZINC11938538

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2008 28 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) 3.41 0.39 -50.27 1 4 1 38 378.54 6
Lo Low (pH 4.5-6) 3.41 0.47 -81.14 2 4 2 39 379.548 6

Activity (Go SEA)

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