UCSF

ZINC52453389

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 No

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

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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) 0.70 6.08 -101.8 3 5 2 52 271.434 7 ↓
Hi High (pH 8-9.5) 0.70 3.82 -43.56 2 5 1 51 270.426 7 ↓

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

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