UCSF

ZINC65520869

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 25 Yes

Popular Name: 4-[[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]methyl]-5-isopropyl-N,N,2-trimethyl-pyrazol-3-amine 4-[[[(1S)-1-(1,3-benzodioxol-5-y…

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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 7.54 -28.62 2 6 1 53 345.467 6 ↓
Hi High (pH 8-9.5) 3.23 7.43 -7.52 1 6 0 52 344.459 6 ↓
Mid Mid (pH 6-8) 3.23 8.54 -47.29 2 6 1 56 345.467 6 ↓
Lo Low (pH 4.5-6) 3.23 8.67 -104.31 3 6 2 57 346.475 6 ↓

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Rings

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

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