UCSF

ZINC22777334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 No

Popular Name: (3aR,7aR)-2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoi (3aR,7aR)-2-[[4-(2,3-dihydrobenz…

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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) 2.33 6.31 -8.64 0 6 0 53 383.492 4 ↓
Mid Mid (pH 6-8) 2.33 8.56 -42.4 1 6 1 54 384.5 4 ↓
Mid Mid (pH 6-8) 2.33 8.58 -43.32 1 6 1 54 384.5 4 ↓
Mid Mid (pH 6-8) 2.33 8.58 -42.32 1 6 1 54 384.5 4 ↓

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Rings

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

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