UCSF

ZINC34579777

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 Yes

Popular Name: 1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine 1,2,3,4-tetrahydrobenzo[b][1,6]n…

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) 1.93 4.91 -48.86 2 2 1 29 185.25 0 ↓
Mid Mid (pH 6-8) 1.93 3.53 -6.7 1 2 0 25 184.242 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1044364A1; WO1999031491A1; WO1999038844A1; WO2000032590A1 IBM Patent Data

Activity (Go SEA)

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