UCSF

ZINC34222301

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 32 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) 5.25 11.34 -12.61 1 5 0 67 451.429 2
Ref Reference (pH 7) 5.25 12.57 -12.83 1 5 0 67 451.429 2
Mid Mid (pH 6-8) 5.70 10.78 -45.9 0 5 -1 70 450.421 2
Mid Mid (pH 6-8) 5.70 9.54 -44.74 0 5 -1 70 450.421 2

Activity (Go SEA)

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