UCSF

ZINC20148727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 14 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) -0.34 1.66 -42.64 3 4 1 46 200.306 4
Lo Low (pH 4.5-6) -0.34 2.95 -113.08 4 4 2 50 201.314 4
Lo Low (pH 4.5-6) -0.34 0.52 -48.9 3 4 1 49 200.306 4

Activity (Go SEA)

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