UCSF

ZINC65533085

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 28 No

Popular Name: (5S)-5-[6-[4-[[(7aS)-7aH-indol-4-yl]methyl]piperazin-1-yl]-3-pyridyl]-3-methyl-2,5-dihydro-1,2,4-oxa (5S)-5-[6-[4-[[(7aS)-7aH-indol-4…

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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) 1.90 4.98 -39.12 2 7 1 67 377.472 4 ↓
Hi High (pH 8-9.5) 1.90 3.4 -12.3 1 7 0 65 376.464 4 ↓
Mid Mid (pH 6-8) 1.90 5.27 -93.47 3 7 2 68 378.48 4 ↓

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

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