UCSF

ZINC06089805

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 24 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) 1.33 3.52 -59.27 1 6 -1 91 323.328 5
Mid Mid (pH 6-8) 1.77 -2.84 -20.2 2 6 0 88 324.336 4
Lo Low (pH 4.5-6) 1.77 -2.38 -44.06 3 6 1 89 325.344 4

Activity (Go SEA)

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