UCSF

ZINC23093926

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 10 Yes

Popular Name: octahydro-1H-pyrrolo[1,2-a][1,4]diazepine octahydro-1H-pyrrolo[1,2-a][1,4]…

Find On: PubMed — Wikipedia — Google

CAS Number: 109324-83-6

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) 0.30 1.8 -35.64 2 2 1 20 141.238 0 ↓
Lo Low (pH 4.5-6) 0.30 4.04 -102.3 3 2 2 21 142.246 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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