UCSF

ZINC36827060

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 Yes

Popular Name: (2S,3S)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-3-methyl-pentan-1-one (2S,3S)-1-[(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) 2.33 6.07 -41.64 3 3 1 48 253.41 3 ↓
Hi High (pH 8-9.5) 2.33 5.72 -4.87 2 3 0 46 252.402 3 ↓

Activity (Go SEA)

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