UCSF

ZINC58305134

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 29 Yes

Popular Name: N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-methyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-sulf N-[(2S)-2-(2-chlorophenyl)-2-(di…

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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) 1.25 4.5 -50.19 3 9 1 118 438.917 6 ↓
Hi High (pH 8-9.5) 1.71 0.26 -46.69 1 9 -1 120 436.901 6 ↓
Mid Mid (pH 6-8) 1.25 2.39 -11.82 2 9 0 117 437.909 6 ↓
Mid Mid (pH 6-8) 1.71 1.99 -74.92 2 9 0 121 437.909 6 ↓

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Rings

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

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