UCSF

ZINC65496894

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: N-isopropyl-2-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide N-isopropyl-2-[4-(6-methyl-7,8-d…

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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) 0.91 9.42 -89.81 3 7 2 67 348.495 4 ↓
Hi High (pH 8-9.5) 0.91 7 -38.21 2 7 1 66 347.487 4 ↓
Hi High (pH 8-9.5) 0.91 5.25 -9.63 1 7 0 65 346.479 4 ↓
Hi High (pH 8-9.5) 0.91 7.67 -44.33 2 7 1 66 347.487 4 ↓

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

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