UCSF

ZINC45658508

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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
Hi High (pH 8-9.5) 1.09 0.92 -41.36 3 3 1 34 228.404 5
Hi High (pH 8-9.5) 1.09 2.74 -30.55 3 3 1 34 228.404 5
Mid Mid (pH 6-8) 1.09 5.58 -91.77 4 3 2 35 229.412 5
Mid Mid (pH 6-8) 1.09 3.35 -109.83 4 3 2 35 229.412 5
Lo Low (pH 4.5-6) 1.09 5.17 -212.08 5 3 3 37 230.42 5
Lo Low (pH 4.5-6) 1.09 3.31 -103.79 4 3 2 35 229.412 5

Activity (Go SEA)

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