UCSF

ZINC67965386

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 29 Yes

Popular Name: 7-[[(3S)-3-hydroxy-2-oxo-1-phenethyl-3-piperidyl]methyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin 7-[[(3S)-3-hydroxy-2-oxo-1-phene…

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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) 1.08 8.38 -38.2 3 7 1 91 397.499 5 ↓
Mid Mid (pH 6-8) 1.53 6.4 -50.5 2 7 0 94 396.491 5 ↓

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

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