UCSF

ZINC35135633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 20 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) -0.08 3.15 -60.19 1 6 -1 84 283.348 5
Lo Low (pH 4.5-6) -0.08 2.9 -50.08 3 6 1 82 285.364 5
Lo Low (pH 4.5-6) -0.08 0.61 -15.3 2 6 0 81 284.356 5
Lo Low (pH 4.5-6) -0.08 5.44 -72.87 2 6 0 85 284.356 5

Activity (Go SEA)

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