UCSF

ZINC39228861

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 4.54 13.96 -34.7 2 5 1 59 401.534 7
Mid Mid (pH 6-8) 4.54 13.5 -10.05 1 5 0 58 400.526 7
Lo Low (pH 4.5-6) 4.54 14.36 -94.66 3 5 2 61 402.542 7

Activity (Go SEA)

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