UCSF

ZINC65505848

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Substance Information

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

Popular Name: 1-[4-[[(2R)-2-hydroxy-3-methoxy-propyl]amino]-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl] 1-[4-[[(2R)-2-hydroxy-3-methoxy-…

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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) -0.58 2.34 -40.3 3 7 1 89 309.39 5 ↓
Mid Mid (pH 6-8) -0.58 1.91 -12.49 2 7 0 88 308.382 5 ↓

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

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