UCSF

ZINC65494508

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 No

Popular Name: (3R)-3-[(1R)-2-(4H-imidazol-5-yl)-1-pyrrol-1-yl-ethyl]-5-methyl-2-(m-tolyl)-1,3-dihydro-1,2,4-triazo (3R)-3-[(1R)-2-(4H-imidazol-5-yl…

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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) 2.99 11.24 -40.48 3 6 1 63 335.435 5 ↓
Mid Mid (pH 6-8) 2.99 11.31 -94.94 4 6 2 64 336.443 5 ↓

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

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