UCSF

ZINC58313351

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 22 Yes

Popular Name: (1S,3S)-1-[[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methylamino]methyl]-N,N,3-trimethyl-cyclohexanamine (1S,3S)-1-[[(5-methoxy-1,3-dimet…

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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) 2.29 7.28 -32.26 2 5 1 44 309.478 6 ↓
Mid Mid (pH 6-8) 2.29 7.12 -114.34 3 5 2 48 310.486 6 ↓
Mid Mid (pH 6-8) 2.29 5.6 -40.76 2 5 1 47 309.478 6 ↓

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

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