UCSF

ZINC35126451

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) -0.02 5.33 -46.85 1 5 0 61 249.314 5
Hi High (pH 8-9.5) -0.02 3.06 -46.79 0 5 -1 59 248.306 5
Lo Low (pH 4.5-6) -0.02 6.04 -85.7 2 5 1 62 250.322 5

Activity (Go SEA)

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