UCSF

ZINC41366912

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 15 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) 0.31 2.92 -34.6 2 3 1 28 213.345 3
Mid Mid (pH 6-8) 0.31 2.92 -35.32 2 3 1 28 213.345 3
Mid Mid (pH 6-8) 0.31 5.15 -111.34 3 3 2 29 214.353 3

Activity (Go SEA)

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