UCSF

ZINC34614504

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) 0.77 0.73 -10.5 2 5 0 68 239.271 7
Mid Mid (pH 6-8) 0.77 2.09 -44.87 3 5 1 72 240.279 7

Activity (Go SEA)

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