UCSF

ZINC04140800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 26 Yes

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) 3.81 -3.61 -11.77 3 5 0 80 362.458 3
Lo Low (pH 4.5-6) 3.81 -3.55 -37.45 4 5 1 82 363.466 3
Lo Low (pH 4.5-6) 3.81 -3.52 -33.77 4 5 1 82 363.466 3
Lo Low (pH 4.5-6) 3.81 -3.46 -74.41 5 5 2 83 364.474 3

Activity (Go SEA)

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