UCSF

ZINC60020821

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 39 No

Popular Name: [3-[(3S,7R,8R,9aR)-2-benzyl-7,8-dimethyl-3-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-y [3-[(3S,7R,8R,9aR)-2-benzyl-7,8-…

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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) 8.81 13.61 -46.08 1 5 1 51 559.674 7 ↓
Hi High (pH 8-9.5) 8.81 11.75 -7.34 0 5 0 50 558.666 7 ↓

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

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