UCSF

ZINC38139393

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 33 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) -4.21 -7.46 -418.58 16 12 5 214 482.643 7
Hi High (pH 8-9.5) -4.21 -8.98 -98.89 13 12 2 206 479.619 7
Hi High (pH 8-9.5) -4.21 -8.66 -185.65 14 12 3 208 480.627 7
Hi High (pH 8-9.5) -4.21 -9.63 -37.11 12 12 1 204 478.611 7
Mid Mid (pH 6-8) -4.21 -7.35 -261.42 15 12 4 212 481.635 7

Vendor Notes

Note Type Comments Provided By
Therapy antibacterial SMDC MicroSource

Activity (Go SEA)

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