UCSF

ZINC55054737

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 Yes

Popular Name: 3-[(1S)-1-[(2-chloro-5-ethoxy-4-propoxy-phenyl)methylamino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1S)-1-[(2-chloro-5-ethoxy-4-…

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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) 2.17 5.31 -54.22 4 7 1 97 355.846 9 ↓
Hi High (pH 8-9.5) 2.62 2.44 -51.96 2 7 -1 95 353.83 9 ↓
Hi High (pH 8-9.5) 2.62 2.43 -28.95 3 7 0 96 354.838 9 ↓
Hi High (pH 8-9.5) 2.17 3.2 -22.22 3 7 0 92 354.838 9 ↓
Mid Mid (pH 6-8) 2.62 3.64 -58.2 3 7 0 100 354.838 9 ↓

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

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