UCSF

ZINC42631925

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 25 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) 1.43 8.12 -37.36 1 6 1 48 353.531 6
Mid Mid (pH 6-8) 1.43 7.97 -37.33 1 6 1 48 353.531 6
Mid Mid (pH 6-8) 1.43 5.77 -11.13 0 6 0 47 352.523 6

Activity (Go SEA)

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