UCSF

ZINC71577821

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 16 Yes

Popular Name: 1-[(E)-3-(5-chloro-2-thienyl)allyl]-1,4-diazepane 1-[(E)-3-(5-chloro-2-thienyl)all…

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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) 2.78 5.59 -38.6 2 2 1 20 257.81 3 ↓
Hi High (pH 8-9.5) 2.78 4.36 -2.58 1 2 0 15 256.802 3 ↓
Lo Low (pH 4.5-6) 2.78 7.68 -117.66 3 2 2 21 258.818 3 ↓
Lo Low (pH 4.5-6) 2.78 6.44 -35.48 2 2 1 16 257.81 3 ↓

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

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