UCSF

ZINC52165059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 27 Yes

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) 1.88 8.96 -40.55 1 6 1 46 376.521 9
Mid Mid (pH 6-8) 1.88 8.89 -41.22 1 6 1 46 376.521 9
Mid Mid (pH 6-8) 1.88 6.68 -11.85 0 6 0 45 375.513 9

Activity (Go SEA)

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