UCSF

ZINC43463644

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.20 5.97 -5.63 1 2 0 29 224.185 1
Hi High (pH 8-9.5) 3.20 5.84 -39.68 0 2 -1 27 223.177 1
Mid Mid (pH 6-8) 3.20 5.99 -5.65 1 2 0 29 224.185 1

Activity (Go SEA)

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