UCSF

ZINC11919838

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2008 19 No

Other Names:

MFCD09743081

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) 2.92 -0.44 -13.61 2 5 0 82 296.735 4
Lo Low (pH 4.5-6) 2.92 -0.29 -38.46 3 5 1 84 297.743 4

Activity (Go SEA)

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