UCSF

ZINC65550481

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 27 No

Popular Name: 2-[[(3S,5S)-4-allyl-5-(4-methoxyphenyl)-1,2,4-triazolidin-3-yl]sulfanylmethyl]-2H-benzimidazole 2-[[(3S,5S)-4-allyl-5-(4-methoxy…

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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) 3.96 4.59 -106.4 4 6 2 64 383.521 7 ↓
Lo Low (pH 4.5-6) 3.96 6.06 -185.58 5 6 3 66 384.529 7 ↓

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

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