UCSF

ZINC65504007

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Substance Information

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

Popular Name: 1-[4-[(5-ethyl-2-pyridyl)methylamino]-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone 1-[4-[(5-ethyl-2-pyridyl)methyla…

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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) 1.22 8.15 -38.15 2 6 1 72 340.451 4 ↓
Mid Mid (pH 6-8) 1.22 7.8 -12.07 1 6 0 71 339.443 4 ↓
Lo Low (pH 4.5-6) 1.22 8.54 -87.66 3 6 2 74 341.459 4 ↓

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

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