UCSF

ZINC53498316

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 17 No

Popular Name: (2R)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-(1,4-thiazepan-4-yl)propan-1-amine (2R)-N-[[(2S)-tetrahydrofuran-2-…

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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) 1.14 5.71 -37.97 2 3 1 29 259.439 5 ↓
Hi High (pH 8-9.5) 1.14 4.53 -3.17 1 3 0 24 258.431 5 ↓
Lo Low (pH 4.5-6) 1.14 6.8 -114.68 3 3 2 30 260.447 5 ↓

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

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