UCSF

ZINC40234310

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 21 Yes

Popular Name: [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[5-(3-aminoprop-1-ynyl)-2-thienyl]methan [(4aR,8aR)-3,4,4a,5,6,7,8,8a-oct…

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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) 2.80 7.49 -56.29 3 3 1 48 303.451 1 ↓
Mid Mid (pH 6-8) 2.80 7.08 -7.92 2 3 0 46 302.443 1 ↓

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

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