UCSF

ZINC72172187

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2012 21 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) 3.58 7.36 -131.5 6 3 2 65 294.483 12
Mid Mid (pH 6-8) 3.58 6.98 -43.37 5 3 1 63 293.475 12
Mid Mid (pH 6-8) 3.58 7.05 -44.29 5 3 1 63 293.475 12

Activity (Go SEA)

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