UCSF

ZINC43453162

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 0.69 6.6 -117.12 3 4 2 41 245.411 8
Hi High (pH 8-9.5) 0.69 4.56 -41.98 2 4 1 40 244.403 8
Mid Mid (pH 6-8) 0.69 5.5 -36.77 2 4 1 37 244.403 8

Activity (Go SEA)

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