UCSF

ZINC67974883

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 Yes

Popular Name: 3-[4-(3-methylphenoxy)benzoyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[4-(3-methylphenoxy)benzoyl]-3…

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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) 2.30 5.32 -12.81 2 6 0 71 379.46 3 ↓
Mid Mid (pH 6-8) 2.30 6.47 -58.29 3 6 1 75 380.468 3 ↓

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Rings

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

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