UCSF

ZINC53446046

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 16 No

Popular Name: 2-(1,4-thiazepan-4-yl)-N-(2-thienylmethyl)ethanamine 2-(1,4-thiazepan-4-yl)-N-(2-thie…

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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) 2.08 5.91 -44.11 2 2 1 20 257.448 5 ↓
Hi High (pH 8-9.5) 2.08 4.57 -3.11 1 2 0 15 256.44 5 ↓
Mid Mid (pH 6-8) 2.08 6.58 -37.43 2 2 1 16 257.448 5 ↓
Lo Low (pH 4.5-6) 2.08 7.92 -123.12 3 2 2 21 258.456 5 ↓

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

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