UCSF

ZINC02477902

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 19 Yes

Popular Name: (1,3-benzodioxol-5-ylmethyl)(4-methylbenzyl)amine (1,3-benzodioxol-5-ylmethyl)(4-m…

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CAS Number: 346704-23-2

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) 3.23 7.59 -49.84 2 3 1 35 256.325 4 ↓
Hi High (pH 8-9.5) 3.23 6.23 -6.71 1 3 0 30 255.317 4 ↓

Activity (Go SEA)

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