UCSF

ZINC38577263

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 No

Popular Name: (4aS,5S)-7-amino-5-(3-fluorophenyl)-3-methyl-2,4-dioxo-5,8-dihydro-4aH-pyrido[2,3-d]pyrimidine-6-car (4aS,5S)-7-amino-5-(3-fluorophen…

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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) 0.26 2.51 -32.71 3 7 0 115 313.292 1 ↓
Mid Mid (pH 6-8) 0.26 3.18 -16.4 3 7 0 112 313.292 1 ↓
Mid Mid (pH 6-8) 0.26 2.74 -27.37 2 7 -1 114 312.284 1 ↓

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

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