UCSF

ZINC37854799

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.35 1.6 -112.47 4 5 2 54 289.464 9
Mid Mid (pH 6-8) 0.35 2.13 -73.98 3 5 1 57 288.456 9
Mid Mid (pH 6-8) 0.35 4.44 -103.45 4 5 2 58 289.464 9
Mid Mid (pH 6-8) 0.35 0.24 -31.89 3 5 1 49 288.456 9
Mid Mid (pH 6-8) 0.35 2.55 -79.91 4 5 2 50 289.464 9
Lo Low (pH 4.5-6) 0.35 3.89 -194.47 5 5 3 55 290.472 9

Activity (Go SEA)

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