UCSF

ZINC53446132

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 No

Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-(1,4-thiazepan-4-yl)ethanamine N-[(5-chloro-2-thienyl)methyl]-2…

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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) 2.88 6.53 -48.55 2 2 1 20 291.893 5 ↓
Hi High (pH 8-9.5) 2.88 5.19 -3.05 1 2 0 15 290.885 5 ↓
Mid Mid (pH 6-8) 2.88 7.21 -39.18 2 2 1 16 291.893 5 ↓
Lo Low (pH 4.5-6) 2.88 8.55 -129.33 3 2 2 21 292.901 5 ↓

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Rings

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

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