UCSF

ZINC37292648

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 Yes

Popular Name: (1S,8aS)-N-[(1R,5R,6R)-6-bicyclo[3.2.0]hept-3-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aS)-N-[(1R,5R,6R)-6-bicyclo…

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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) 2.65 6.69 -33.31 2 2 1 20 233.379 2 ↓
Hi High (pH 8-9.5) 2.65 6.03 -0.85 1 2 0 15 232.371 2 ↓
Mid Mid (pH 6-8) 2.65 8.28 -29.73 2 2 1 16 233.379 2 ↓
Mid Mid (pH 6-8) 2.65 8.95 -105.27 3 2 2 21 234.387 2 ↓

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Rings

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

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