UCSF

ZINC78279052

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2012 17 Yes

Popular Name: 1-[(2-methylindan-2-yl)methyl]piperazine 1-[(2-methylindan-2-yl)methyl]pi…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.05 6.43 -40.28 2 2 1 20 231.363 2 ↓
Hi High (pH 8-9.5) 2.05 5.08 -2.4 1 2 0 15 230.355 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0361577A1; EP0361577B1; US4980354 IBM Patent Data

Activity (Go SEA)

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