UCSF

ZINC43253232

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 3.24 8.07 -113.39 4 3 2 41 326.893 6
Hi High (pH 8-9.5) 3.24 5.66 -3.41 2 3 0 38 324.877 6
Mid Mid (pH 6-8) 3.24 6.02 -36.8 3 3 1 40 325.885 6

Activity (Go SEA)

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