UCSF

ZINC69765613

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 14 Yes

Popular Name: 1-[2-(3-thienyl)ethyl]-1,4-diazepane 1-[2-(3-thienyl)ethyl]-1,4-diaze…

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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) 1.30 4.4 -37.85 2 2 1 20 211.354 3 ↓
Hi High (pH 8-9.5) 1.30 3.18 -1.98 1 2 0 15 210.346 3 ↓
Lo Low (pH 4.5-6) 1.30 6.44 -113.91 3 2 2 21 212.362 3 ↓
Lo Low (pH 4.5-6) 1.30 5.13 -36.81 2 2 1 16 211.354 3 ↓

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Rings

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

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