UCSF

ZINC72187980

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2012 34 No

Other Names:

EXCENEL

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) 0.98 5.38 -26.04 3 12 0 166 523.574 10
Hi High (pH 8-9.5) 1.16 3.87 -63.3 2 12 -1 173 522.566 10

Vendor Notes

Note Type Comments Provided By
Therapy antibacterial SMDC Pharmakon

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.