UCSF

ZINC04897511

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 15 Yes

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

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CAS Numbers: 1050208-23-5 , 869943-99-7

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) 1.02 1.36 -48.76 3 4 1 55 210.253 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 147-151°/0.7 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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