UCSF

ZINC65494896

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 Yes

Popular Name: 2-(dimethylamino)-7-[(1-ethylimidazol-2-yl)methyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one 2-(dimethylamino)-7-[(1-ethylimi…

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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) 0.99 8.4 -36.79 2 7 1 71 317.417 4 ↓
Hi High (pH 8-9.5) 0.99 7.83 -13.13 1 7 0 70 316.409 4 ↓
Lo Low (pH 4.5-6) 0.99 9.63 -41.15 2 7 1 71 317.417 4 ↓

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

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