UCSF

ZINC34667952

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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) 2.96 6.65 -12.82 2 7 0 78 432.524 7
Mid Mid (pH 6-8) 2.96 6.98 -38.15 3 7 1 79 433.532 7
Mid Mid (pH 6-8) 2.96 8.92 -48.52 3 7 1 79 433.532 7
Lo Low (pH 4.5-6) 2.96 9.25 -107.69 4 7 2 80 434.54 7

Activity (Go SEA)

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