UCSF

ZINC34679167

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 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) 3.98 14.31 -11.39 0 6 0 53 425.964 3
Lo Low (pH 4.5-6) 3.98 14.69 -29.65 1 6 1 54 426.972 3
Lo Low (pH 4.5-6) 3.98 14.65 -32.1 1 6 1 54 426.972 3

Activity (Go SEA)

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