UCSF

ZINC52453393

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 19 No

Popular Name: (3S)-N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]tetrahydrothiophen-3-amine (3S)-N-methyl-N-[2-[4-(propylami…

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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) 1.20 6.83 -103.06 3 5 2 52 285.461 8 ↓
Hi High (pH 8-9.5) 1.20 4.59 -44.37 2 5 1 51 284.453 8 ↓

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

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