UCSF

ZINC40771790

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) 1.15 6.85 -36.37 2 4 1 34 277.436 4
Mid Mid (pH 6-8) 1.15 8.23 -121.86 3 4 2 39 278.444 4
Mid Mid (pH 6-8) 1.15 6 -41.09 2 4 1 38 277.436 4
Lo Low (pH 4.5-6) 1.15 7.18 -81.35 3 4 2 36 278.444 4

Activity (Go SEA)

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