UCSF

ZINC61326790

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 19 Yes

Popular Name: (1S,8aR)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(4R)-4,5,6,7-tetrahy…

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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) 2.23 8.3 -33.63 2 2 1 16 277.457 2 ↓
Hi High (pH 8-9.5) 2.23 6.05 -2.14 1 2 0 15 276.449 2 ↓
Lo Low (pH 4.5-6) 2.23 9.12 -112.3 3 2 2 21 278.465 2 ↓

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

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