UCSF

ZINC43910824

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 3.40 10.04 -110.33 3 2 2 21 266.404 6
Hi High (pH 8-9.5) 3.40 8.39 -35.92 2 2 1 20 265.396 6
Mid Mid (pH 6-8) 3.40 9.57 -31.09 2 2 1 16 265.396 6

Activity (Go SEA)

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