UCSF

ZINC63268774

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 35 Yes

Popular Name: (1R,9aR)-1-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methoxy-phenyl]-2,3,4,9a-tetrahydro-1H-py (1R,9aR)-1-[3-[[4-(4-fluoropheny…

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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) 4.88 10.96 -88.84 3 5 2 43 472.608 5 ↓
Mid Mid (pH 6-8) 4.88 9.83 -116.55 3 5 2 46 472.608 5 ↓
Mid Mid (pH 6-8) 4.88 8.61 -33.01 2 5 1 42 471.6 5 ↓
Lo Low (pH 4.5-6) 4.88 12.17 -194.44 4 5 3 47 473.616 5 ↓

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

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