UCSF

ZINC49282850

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 3.09 5.58 -40.43 2 4 1 51 338.28 4
Mid Mid (pH 6-8) 3.09 5.57 -35.22 1 4 0 53 337.272 4

Activity (Go SEA)

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