UCSF

ZINC70003892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 23 No

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) -0.46 -0.2 -51.28 1 10 -1 132 321.269 3
Hi High (pH 8-9.5) -0.46 0.43 -126.39 0 10 -2 135 320.261 3
Mid Mid (pH 6-8) -0.46 -0.79 -22.6 2 10 0 129 322.277 3
Mid Mid (pH 6-8) -0.46 -0.17 -48.8 1 10 -1 132 321.269 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.