UCSF

ZINC69051080

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 11 No

Popular Name: (4R)-4-(2-aminoethyl)-2,5-dimethyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2,5-dimeth…

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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) -0.58 -1.82 -49.25 4 4 1 66 156.209 2 ↓
Hi High (pH 8-9.5) -1.03 -0.18 -15.51 3 4 0 64 155.201 2 ↓
Hi High (pH 8-9.5) -0.74 -0.09 -9.47 2 4 0 59 155.201 2 ↓
Hi High (pH 8-9.5) -0.74 -0.14 -8.12 2 4 0 59 155.201 2 ↓
Mid Mid (pH 6-8) -1.03 0.21 -49.43 4 4 1 65 156.209 2 ↓

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Rings

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

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