UCSF

ZINC59415231

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 32 Yes

Popular Name: (3R,3aS,4R,4aR,5S,9aR)-3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-hydroxy-4a,5-dimethyl-3,3a (3R,3aS,4R,4aR,5S,9aR)-3-[[4-(2,…

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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) 3.75 11.49 -9.28 1 5 0 53 438.612 3 ↓
Mid Mid (pH 6-8) 3.75 11.58 -33.91 2 5 1 54 439.62 3 ↓

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Rings

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