UCSF

ZINC37088104

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 Yes

Popular Name: (3S)-3-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1S,5R)-8-methyl-8-azab…

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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) 1.89 7.43 -49.48 2 4 0 57 294.42 5 ↓
Mid Mid (pH 6-8) 1.89 6.11 -29.4 2 4 0 60 294.42 5 ↓
Lo Low (pH 4.5-6) 1.89 8.46 -68.81 3 4 1 61 295.428 5 ↓

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

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