UCSF

ZINC67561315

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 Yes

Popular Name: 3-[(3S)-8-methoxychromane-3-carbonyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(3S)-8-methoxychromane-3-carb…

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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) 0.73 2.46 -14.62 2 7 0 80 359.426 2 ↓
Mid Mid (pH 6-8) 0.73 3.62 -62.51 3 7 1 84 360.434 2 ↓

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Rings

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

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