UCSF

ZINC43967530

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 1.98 7.14 -90.68 3 4 2 34 291.439 6
Hi High (pH 8-9.5) 1.98 4.74 -35.38 2 4 1 32 290.431 6
Hi High (pH 8-9.5) 1.98 3.1 -3.76 1 4 0 28 289.423 6
Mid Mid (pH 6-8) 1.98 5.52 -30.62 2 4 1 29 290.431 6
Mid Mid (pH 6-8) 1.98 6.6 -117.56 3 4 2 34 291.439 6

Activity (Go SEA)

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