UCSF

ZINC61328100

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 19 Yes

Popular Name: (4S)-N-[[(8S)-8-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[[(8S)-8-bicyclo[4.2.0]oc…

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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) 2.77 10.26 -43.51 2 1 1 17 270.421 3 ↓
Mid Mid (pH 6-8) 2.77 9.18 -4.35 1 1 0 12 269.413 3 ↓

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

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