UCSF

ZINC38570965

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Substance Information

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

Popular Name: (5S,6S)-5-[(1R,9aS)-2-methyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-1-yl]-6-hydroxy-1-[(1R)-1-methylp (5S,6S)-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 0.54 -47.12 2 7 -1 95 369.445 3 ↓
Hi High (pH 8-9.5) 1.77 1.92 -47.19 2 7 -1 95 369.445 3 ↓
Mid Mid (pH 6-8) 2.69 2.98 -8.72 3 7 0 89 370.453 3 ↓
Mid Mid (pH 6-8) 1.77 2.64 -32.76 3 7 0 96 370.453 3 ↓
Lo Low (pH 4.5-6) 2.32 1.07 -55.65 3 7 0 96 370.453 3 ↓
Lo Low (pH 4.5-6) 2.69 4.31 -51.61 4 7 1 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.