UCSF

ZINC39500113

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 37 No

Popular Name: [(2R)-6-[(9aR)-6,7,8,9a-tetrahydro-5H-carbazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]-[4-(2-pyridyl [(2R)-6-[(9aR)-6,7,8,9a-tetrahyd…

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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) 3.22 12.63 -42.65 1 7 1 70 498.651 3 ↓
Mid Mid (pH 6-8) 3.22 12.33 -16.36 0 7 0 69 497.643 3 ↓

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

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