UCSF

ZINC20127061

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 Yes

Popular Name: 1,3-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]pyrimidine-2,4-dione 1,3-dimethyl-5-[(2-pyrrolidin-1-…

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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) -0.62 3.3 -53.55 2 6 1 64 267.353 5 ↓
Mid Mid (pH 6-8) -0.62 4.42 -46.71 2 6 1 60 267.353 5 ↓
Mid Mid (pH 6-8) -0.62 5.93 -126.02 3 6 2 65 268.361 5 ↓

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

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