UCSF

ZINC63258838

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 33 Yes

Popular Name: (5R)-2-[[5-(2H-indol-3-yl)-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-3,5-dihydroimidaz (5R)-2-[[5-(2H-indol-3-yl)-4-(m-…

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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) 4.89 15.09 -34.03 2 6 1 65 453.595 5 ↓
Mid Mid (pH 6-8) 4.03 14.87 -74.34 2 6 2 62 454.603 5 ↓
Mid Mid (pH 6-8) 4.17 14.43 -32.82 2 6 1 60 453.595 4 ↓

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

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