UCSF

ZINC38570961

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 27 Yes

Popular Name: (5S,6R)-5-[(1R,9aS)-2-methyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-1-yl]-6-hydroxy-1-[(1S)-1-methylp (5S,6R)-5-[(1R,9aS)-2-methyl-1,3…

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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) 2.32 1.97 -47.23 2 7 -1 95 369.445 3 ↓
Mid Mid (pH 6-8) 2.69 4.35 -9.23 3 7 0 89 370.453 3 ↓
Lo Low (pH 4.5-6) 2.32 3.41 -34.83 3 7 0 96 370.453 3 ↓
Lo Low (pH 4.5-6) 2.69 5.77 -40.66 4 7 0 90 371.461 3 ↓

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

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