UCSF

ZINC43253523

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 2.68 5.14 -30.85 3 3 1 40 291.868 7
Hi High (pH 8-9.5) 2.68 3.25 -1.7 2 3 0 38 290.86 7
Mid Mid (pH 6-8) 2.68 3.56 -41.92 3 3 1 40 291.868 7
Mid Mid (pH 6-8) 2.68 5.43 -109.88 4 3 2 41 292.876 7

Activity (Go SEA)

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