UCSF

ZINC40767878

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 2.85 10.41 -139.88 3 2 2 21 310.482 4
Hi High (pH 8-9.5) 2.85 8.56 -50.52 2 2 1 20 309.474 4
Mid Mid (pH 6-8) 2.85 9.57 -44.2 2 2 1 16 309.474 4

Activity (Go SEA)

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