UCSF

ZINC36127044

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 No

Popular Name: 1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-(p-tolylsulfonyl)urea 1-(2-imidazo[1,5-a]pyridin-3-yle…

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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) 1.81 3.7 -62.34 1 7 -1 99 357.415 6 ↓
Hi High (pH 8-9.5) 1.81 1.46 -50.93 1 7 -1 98 357.415 6 ↓
Lo Low (pH 4.5-6) 1.81 3.49 -51.11 3 7 1 97 359.431 6 ↓
Lo Low (pH 4.5-6) 2.18 5.67 -20.01 2 7 0 93 358.423 5 ↓
Lo Low (pH 4.5-6) 1.81 4.13 -61.16 2 7 0 100 358.423 6 ↓

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

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