UCSF

ZINC00595548

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 No

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) 4.20 -2.23 -9.6 2 4 0 64 364.861 3
Lo Low (pH 4.5-6) 4.20 -1.84 -176.65 5 4 3 68 367.885 3
Lo Low (pH 4.5-6) 4.20 -1.97 -85.05 4 4 2 67 366.877 3
Lo Low (pH 4.5-6) 4.20 -1.97 -90.37 4 4 2 67 366.877 3
Lo Low (pH 4.5-6) 4.20 -2.1 -35.17 3 4 1 65 365.869 3
Lo Low (pH 4.5-6) 4.20 -1.98 -94.63 4 4 2 67 366.877 3
Lo Low (pH 4.5-6) 4.20 -2.11 -36.79 3 4 1 65 365.869 3
Lo Low (pH 4.5-6) 4.20 -2.1 -31.51 3 4 1 65 365.869 3

Activity (Go SEA)

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