UCSF

ZINC39301490

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 4.39 11.63 -13.55 4 8 0 105 432.528 6
Mid Mid (pH 6-8) 4.39 11.84 -36.84 5 8 1 107 433.536 6
Mid Mid (pH 6-8) 4.39 11.67 -35.35 5 8 1 107 433.536 6

Activity (Go SEA)

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