UCSF

ZINC34676924

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 29 Yes

Popular Name: [4-(4-methylpiperazin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-thienyl [4-(4-methylpiperazin-1-yl)-2-py…

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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) 2.65 12.49 -51.8 1 7 1 57 413.571 3 ↓
Mid Mid (pH 6-8) 2.65 12.85 -94.8 2 7 2 58 414.579 3 ↓
Mid Mid (pH 6-8) 2.65 10.12 -10.86 0 7 0 56 412.563 3 ↓

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