UCSF

ZINC51761818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 24 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) 1.22 7.45 -43.6 1 6 1 48 339.504 6
Hi High (pH 8-9.5) 1.22 5.06 -13.52 0 6 0 47 338.496 6
Mid Mid (pH 6-8) 1.22 9.61 -100.57 2 6 2 49 340.512 6

Activity (Go SEA)

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