UCSF

ZINC34039050

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 35 Yes

Popular Name: 4-amino-5-chloro-N-[(3R,4R)-1-[4-[4-(dimethylamino)-1-piperidyl]-4-oxo-butyl]-3-methoxy-4-piperidyl] 4-amino-5-chloro-N-[(3R,4R)-1-[4…

Find On: PubMed — Wikipedia — Google

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) 2.19 8.96 -100.91 5 9 2 103 512.095 9 ↓
Hi High (pH 8-9.5) 2.19 6.72 -53.53 4 9 1 102 511.087 9 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5041454 IBM Patent Data

Activity (Go SEA)

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