UCSF

ZINC53446038

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Substance Information

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

Popular Name: N-(2-pyridylmethyl)-2-(1,4-thiazepan-4-yl)ethanamine N-(2-pyridylmethyl)-2-(1,4-thiaz…

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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) 1.01 4.97 -42.96 2 3 1 33 252.407 5 ↓
Hi High (pH 8-9.5) 1.01 3.62 -5.26 1 3 0 28 251.399 5 ↓
Lo Low (pH 4.5-6) 1.01 6.99 -120.58 3 3 2 34 253.415 5 ↓

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

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