UCSF

ZINC67560796

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 24 Yes

Popular Name: (3R,4S)-4-[4-(9-azaspiro[5.5]undecan-3-yl)-1,4-diazepan-1-yl]tetrahydrofuran-3-ol (3R,4S)-4-[4-(9-azaspiro[5.5]und…

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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) 0.53 2.97 -89.52 4 5 2 54 339.524 2 ↓
Hi High (pH 8-9.5) 0.53 1.17 -42.89 3 5 1 53 338.516 2 ↓
Mid Mid (pH 6-8) 0.53 3.16 -94.66 4 5 2 54 339.524 2 ↓
Lo Low (pH 4.5-6) 0.53 4.98 -183.44 5 5 3 55 340.532 2 ↓

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Rings

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

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