UCSF

ZINC43700246

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 15 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) -3.04 1.49 -38.67 3 6 0 89 220.269 9
Hi High (pH 8-9.5) -3.04 0.05 -30.6 3 6 0 89 220.269 9
Hi High (pH 8-9.5) -3.04 -0.82 -44.97 2 6 -1 88 219.261 9
Mid Mid (pH 6-8) -3.04 2.03 -70.43 4 6 1 91 221.277 9

Activity (Go SEA)

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