UCSF

ZINC00570841

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 15 Yes

Popular Name: 1-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-propan-2-ol hydrochloride 1-[(Benzo[1,3]dioxol-5-ylmethyl)…

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CAS Numbers: 1052410-14-6 , 774551-34-7 , [1052410-14-6]

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) 1.12 1.45 -46.86 3 4 1 55 210.253 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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