UCSF

ZINC58519877

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 34 Yes

Popular Name: 5-[5-[3-[(1S,5R)-5-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-4-methyl-1,2,4-tri 5-[5-[3-[(1S,5R)-5-(4-chlorophen…

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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) 5.92 17.17 -55.15 1 5 1 48 491.084 7 ↓
Hi High (pH 8-9.5) 5.92 14.81 -13.36 0 5 0 47 490.076 7 ↓
Lo Low (pH 4.5-6) 5.92 17.55 -86.85 2 5 2 49 492.092 7 ↓

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

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