UCSF

ZINC43258802

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.52 2.41 -47.67 4 3 1 51 334.303 4
Hi High (pH 8-9.5) 1.52 2.1 -3.49 3 3 0 49 333.295 4
Mid Mid (pH 6-8) 1.52 3.83 -34.97 4 3 1 51 334.303 4
Mid Mid (pH 6-8) 1.52 4.16 -122.42 5 3 2 52 335.311 4

Activity (Go SEA)

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