UCSF

ZINC43968580

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 3.31 7.6 -105.36 3 3 2 30 280.456 9
Hi High (pH 8-9.5) 3.31 7.36 -32.6 2 3 1 29 279.448 9
Hi High (pH 8-9.5) 3.31 5.61 -2.08 1 3 0 24 278.44 9
Mid Mid (pH 6-8) 3.31 8.49 -28.73 2 3 1 26 279.448 9

Activity (Go SEA)

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