UCSF

ZINC02001364

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 23 Yes

Popular Name: N-((1-Allylpyrrolidin-2-yl)methyl)-6-methoxy-1H-benzo[d][1,2,3]triazole-5-carboxamide hydrochloride N-((1-Allylpyrrolidin-2-yl)methy…

Find On: PubMed — Wikipedia — Google

CAS Number: 59338-87-3

Other Names:

MFCD02183928

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) 2.06 4.71 -49.16 3 7 1 84 316.385 6 ↓
Mid Mid (pH 6-8) 2.06 4.75 -43.91 3 7 1 84 316.385 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.