UCSF

ZINC31958967

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 0.49 3.87 -73.66 5 7 1 103 324.364 4
Mid Mid (pH 6-8) 0.49 3.48 -28.96 4 7 0 102 323.356 4
Lo Low (pH 4.5-6) 0.49 4.27 -102.57 6 7 2 104 325.372 4

Activity (Go SEA)

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