UCSF

ZINC65498646

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 No

Popular Name: 2-[(3S,5R)-3-cyclopropyl-5-[(1R)-2-[(4R)-4H-imidazol-4-yl]-1-pyrrol-1-yl-ethyl]-1,2,4-triazolidin-1- 2-[(3S,5R)-3-cyclopropyl-5-[(1R)…

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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) 1.99 9.17 -35.22 4 7 1 75 350.45 6 ↓
Mid Mid (pH 6-8) 1.99 9.18 -7.78 3 7 0 74 349.442 6 ↓
Lo Low (pH 4.5-6) 1.99 9.12 -81.47 5 7 2 76 351.458 6 ↓

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

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