UCSF

ZINC03873778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 30 Yes

CAS Number: 17692-51-2

Other Names:

BRD-A30435184-001-01-5

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) 3.87 12.06 -49.28 2 5 1 48 404.534 5

Vendor Notes

Note Type Comments Provided By
Therapy analgesic, antipyretic SMDC Pharmakon

Activity (Go SEA)

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