UCSF

ZINC69073969

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Substance Information

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

Popular Name: N-[(1S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-cyclopropyl-ethyl]propan-1-amin N-[(1S)-2-[(4aR,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) 4.04 10.48 -114.44 3 2 2 21 266.473 6 ↓
Hi High (pH 8-9.5) 4.04 10.59 -33.01 2 2 1 20 265.465 6 ↓
Hi High (pH 8-9.5) 4.04 9.66 -28.36 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.