UCSF

ZINC69073958

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 Yes

Popular Name: N-[(1S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-cyclopropyl-ethyl]propan-1-a N-[(1S)-2-[(4aS,8aS)-3,4,4a,5,6,…

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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) 4.15 10.54 -114.21 3 2 2 21 266.473 6 ↓
Hi High (pH 8-9.5) 4.15 8.58 -35.71 2 2 1 20 265.465 6 ↓
Hi High (pH 8-9.5) 4.15 9.4 -30.91 2 2 1 16 265.465 6 ↓

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

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