UCSF

ZINC41585457

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.46 9.36 -12.44 1 8 0 85 520.557 7
Mid Mid (pH 6-8) 4.46 9.96 -46.8 0 8 -1 87 519.549 7
Mid Mid (pH 6-8) 4.46 11.61 -50.98 2 8 1 86 521.565 7
Mid Mid (pH 6-8) 4.46 12.17 -35.69 1 8 0 89 520.557 7

Activity (Go SEA)

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