UCSF

ZINC48970957

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 Yes

Popular Name: N-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-N-(2-thienylmethyl)ethanamine N-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,…

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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) 4.59 7.57 -33.67 2 2 1 20 279.473 5 ↓
Mid Mid (pH 6-8) 4.59 9.4 -117.49 3 2 2 21 280.481 5 ↓

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

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