UCSF

ZINC69783263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: (1S)-N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-N,N-dimethyl-ethane-1,2-diamine (1S)-N'-(2,3-dihydro-1,4-benzodi…

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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) 2.78 8.04 -47.15 2 4 1 35 331.411 6 ↓
Hi High (pH 8-9.5) 2.78 5.72 -6.9 1 4 0 34 330.403 6 ↓
Mid Mid (pH 6-8) 2.78 9.32 -133.35 3 4 2 40 332.419 6 ↓
Mid Mid (pH 6-8) 2.78 7.11 -50.33 2 4 1 38 331.411 6 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.