UCSF

ZINC39952431

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 18 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) 1.81 5.39 -78.03 2 4 0 60 248.326 4
Mid Mid (pH 6-8) 1.81 4.03 -48.88 1 4 -1 55 247.318 4
Lo Low (pH 4.5-6) 1.81 7.5 -144.01 3 4 1 61 249.334 4

Activity (Go SEA)

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