UCSF

ZINC43253326

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.35 5.18 -33.21 3 3 1 40 277.841 7
Hi High (pH 8-9.5) 2.35 2.93 -1.88 2 3 0 38 276.833 7
Mid Mid (pH 6-8) 2.35 3.25 -41.8 3 3 1 40 277.841 7
Mid Mid (pH 6-8) 2.35 5.61 -113.76 4 3 2 41 278.849 7

Activity (Go SEA)

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