UCSF

ZINC37822766

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Popular Name: [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-…

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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) 2.29 5.02 -40.7 2 4 1 40 276.404 2 ↓
Lo Low (pH 4.5-6) 2.29 7.28 -98.39 3 4 2 41 277.412 2 ↓

Activity (Go SEA)

Rings

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