UCSF

ZINC39264739

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 30 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) 4.27 11.85 -13.52 3 8 0 105 405.458 9
Lo Low (pH 4.5-6) 4.27 11.48 -37.16 4 8 1 106 406.466 9

Activity (Go SEA)

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