UCSF

ZINC12144584

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2008 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) 2.47 -0.98 -10.52 1 5 0 55 319.343 4
Mid Mid (pH 6-8) 2.47 -0.77 -34.07 2 5 1 56 320.351 4
Lo Low (pH 4.5-6) 2.47 -0.6 -36.68 2 5 1 56 320.351 4
Lo Low (pH 4.5-6) 2.47 -0.39 -96.05 3 5 2 58 321.359 4

Activity (Go SEA)

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