UCSF

ZINC62156642

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 28 Yes

Popular Name: N-[[4-(diethylaminomethyl)thiazol-2-yl]methyl]-3-isobutyl-imidazo[1,5-a]pyridine-1-carboxamide N-[[4-(diethylaminomethyl)thiazo…

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Vendors

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) 2.80 10.37 -39.21 2 6 1 64 400.572 9 ↓
Hi High (pH 8-9.5) 2.80 7.94 -13.53 1 6 0 63 399.564 9 ↓
Lo Low (pH 4.5-6) 2.80 10.88 -78.93 3 6 2 65 401.58 9 ↓

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

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