UCSF

ZINC65498488

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Substance Information

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

Popular Name: 1-[2-methyl-4-[methyl(2-morpholinoethyl)amino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone 1-[2-methyl-4-[methyl(2-morpholi…

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Download: MOL2 SDF SMILES Flexibase

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) 0.20 5.87 -40.58 1 7 1 63 348.471 4 ↓
Mid Mid (pH 6-8) 0.20 8.13 -94.81 2 7 2 64 349.479 4 ↓
Mid Mid (pH 6-8) 0.20 5.62 -11.35 0 7 0 62 347.463 4 ↓

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

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