UCSF

ZINC29400517

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.36 2.85 -42.83 4 7 0 123 272.301 6
Hi High (pH 8-9.5) -0.36 2.52 -44.68 3 7 -1 122 271.293 6

Activity (Go SEA)

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