UCSF

ZINC63730274

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 31 No

Popular Name: 2-[[(3S,5R)-4-allyl-5-(2H-indol-3-ylmethyl)-1,2,4-triazolidin-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)a 2-[[(3S,5R)-4-allyl-5-(2H-indol-…

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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) 4.30 7.19 -44.18 4 6 1 70 436.605 8 ↓

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

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