UCSF

ZINC06294213

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 24 No

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) 3.77 14.67 -42.92 2 4 1 34 345.536 11
Mid Mid (pH 6-8) 3.77 13.87 -19.35 1 4 0 33 344.528 11

Activity (Go SEA)

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