UCSF

ZINC38577859

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 No

Popular Name: (3S)-3-[[(5S)-4,5-diphenyl-1,5-dihydro-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-3H-1,2,4-triazole (3S)-3-[[(5S)-4,5-diphenyl-1,5-d…

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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 14.76 -48.76 1 6 -1 58 443.581 6 ↓
Lo Low (pH 4.5-6) 4.15 14.92 -12.69 2 6 0 61 444.589 6 ↓

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

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