UCSF

ZINC43411198

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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
Ref Reference (pH 7) 0.54 5.89 -46.45 2 4 1 38 225.36 7
Hi High (pH 8-9.5) 0.54 4.74 -6.27 1 4 0 33 224.352 7
Hi High (pH 8-9.5) 0.54 6.85 -37.95 2 4 1 34 225.36 7
Mid Mid (pH 6-8) 0.54 7.37 -75.87 3 4 2 36 226.368 7
Mid Mid (pH 6-8) 0.54 6.41 -92.63 3 4 2 39 226.368 7
Mid Mid (pH 6-8) 0.54 8.01 -121.72 3 4 2 39 226.368 7
Mid Mid (pH 6-8) 0.54 8.52 -181.83 4 4 3 40 227.376 7

Activity (Go SEA)

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