UCSF

ZINC34081878

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 26 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) 5.79 11.43 -38.77 2 2 1 20 355.59 3
Mid Mid (pH 6-8) 5.79 13.11 -126.16 3 2 2 21 356.598 3
Mid Mid (pH 6-8) 5.79 12.33 -34.46 2 2 1 16 355.59 3

Activity (Go SEA)

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