UCSF

ZINC17242372

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 25 No

Other Names:

MFCD03067517

Download: MOL2 SDF SMILES Flexibase

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) 3.30 7.83 -11.22 2 5 0 71 353.447 4
Ref Reference (pH 7) 3.30 8.23 -11.19 2 5 0 71 353.447 4
Mid Mid (pH 6-8) 3.30 7.68 -45.66 1 5 -1 73 352.439 5
Lo Low (pH 4.5-6) 3.30 7.97 -14.45 2 5 0 71 353.447 5

Activity (Go SEA)

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