UCSF

ZINC63959041

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 27 No

Popular Name: 3-acetyl-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]-2H-pyrrole-5-carboxamide 3-acetyl-N-[3-(3-imidazol-1-ylpr…

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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) 0.02 5.88 -45.35 3 8 1 107 366.401 7 ↓
Hi High (pH 8-9.5) 0.21 3.37 -61.01 1 8 -1 112 364.385 7 ↓
Mid Mid (pH 6-8) 0.02 5.37 -19.82 2 8 0 105 365.393 7 ↓

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

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