UCSF

ZINC51924271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 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) -0.97 0.81 -44.9 2 7 0 84 207.241 4
Hi High (pH 8-9.5) -0.97 0.36 -42.41 1 7 -1 83 206.233 4
Mid Mid (pH 6-8) -0.97 2.09 -85.29 3 7 1 88 208.249 4
Mid Mid (pH 6-8) -0.97 1.62 -39.69 2 7 0 87 207.241 4

Activity (Go SEA)

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

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