UCSF

ZINC16661552

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2008 28 No

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) 5.10 8.79 -12.58 1 6 0 73 398.484 5
Lo Low (pH 4.5-6) 4.61 9.34 -17.76 1 6 0 70 398.484 6

Activity (Go SEA)

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