UCSF

ZINC37186822

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 Yes

Popular Name: N-[(1R)-1,2-bis(2-thienyl)ethyl]-2-methyl-propan-1-amine N-[(1R)-1,2-bis(2-thienyl)ethyl]…

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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) 4.40 9.29 -30.58 2 1 1 17 266.455 6 ↓
Hi High (pH 8-9.5) 4.40 8.17 -2.4 1 1 0 12 265.447 6 ↓

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

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