UCSF

ZINC34876208

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 13 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) 2.24 4.03 -1.92 0 2 0 12 183.295 3
Mid Mid (pH 6-8) 2.24 6.29 -1.69 1 2 0 14 184.303 3

Activity (Go SEA)

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