UCSF

ZINC65493085

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 22 Yes

Popular Name: 2-[methyl(2-morpholinoethyl)amino]-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one 2-[methyl(2-morpholinoethyl)amin…

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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) 0.34 3.82 -47.91 3 7 1 78 308.406 4 ↓
Hi High (pH 8-9.5) 0.79 2.05 -65.17 2 7 0 81 307.398 4 ↓
Mid Mid (pH 6-8) 0.34 6.09 -103.91 4 7 2 79 309.414 4 ↓

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

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