UCSF

ZINC00000865

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

CAS Number: 118-57-0

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) 3.05 5.62 -15.26 2 5 0 76 271.272 4
Hi High (pH 8-9.5) 3.05 6.63 -58.56 1 5 -1 78 270.264 4

Vendor Notes

Note Type Comments Provided By
Therapy analgesic, antipyretic SMDC Pharmakon

Activity (Go SEA)

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

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