UCSF

ZINC03871094

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 14 No

CAS Numbers: 554-57-4 , [554-57-4]

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) -4.60 -2.49 -65.64 3 7 1 105 237.286 2
Mid Mid (pH 6-8) -4.60 -2.63 -38.76 2 7 0 104 236.278 2

Vendor Notes

Note Type Comments Provided By
Therapy carbonic anhydrase inhibitor SMDC Pharmakon

Activity (Go SEA)

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

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