UCSF

ZINC02178156

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 16 Yes

Popular Name: (1-Methyl-1H-pyrrol-2-ylmethyl)-phenethyl-aminehydrochloride (1-Methyl-1H-pyrrol-2-ylmethyl)-…

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CAS Numbers: 1052536-01-2 , 713501-63-4

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) 2.52 8.45 -43.57 2 2 1 22 215.32 5 ↓
Mid Mid (pH 6-8) 2.52 7.09 -4.19 1 2 0 17 214.312 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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