UCSF

ZINC34679112

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 4.96 18.03 -12.31 0 6 0 53 469.633 5
Lo Low (pH 4.5-6) 4.96 18.38 -31.15 1 6 1 54 470.641 5
Lo Low (pH 4.5-6) 4.96 18.35 -36.34 1 6 1 54 470.641 5

Activity (Go SEA)

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