UCSF

ZINC00003649

Substance Information

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

Other Names:

BRD-K24053527-004-02-0

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) 3.94 9.07 -38.76 1 2 1 14 272.412 1

Vendor Notes

Note Type Comments Provided By
Therapy antitussive SMDC MicroSource
PUBCHEM_PATENT_ID EP0387068A1; EP0608893A1; EP1003494A1; EP1011658A1; US4126684; US5116847; US5321012; US5556838; US5654281; US6008258; WO1992021333A2; WO1998031358A1; WO1999008667A2; WO1999012537A1; WO2000007583A2; WO2000053225A1; WO2000071109A2 IBM Patent Data

Activity (Go SEA)

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