UCSF

ZINC06420728

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 28 No

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) 2.19 8.57 -39.15 0 6 -1 86 373.388 5
Mid Mid (pH 6-8) 1.61 8.96 -20.38 0 6 0 80 374.396 5
Lo Low (pH 4.5-6) 1.61 9.25 -68.8 1 6 1 82 375.404 5
Lo Low (pH 4.5-6) 2.19 7.44 -17.82 1 6 0 84 374.396 5

Activity (Go SEA)

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