UCSF

ZINC69698019

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 Yes

Popular Name: 2-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-6-methyl-imidazo[2,1-b][1,3,4]thiad 2-[(3S)-3-[(3,5-dimethyl-1,2,4-t…

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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) 1.24 9.79 -17.85 0 7 0 64 331.449 3 ↓
Lo Low (pH 4.5-6) 1.24 10.24 -31.64 1 7 1 65 332.457 3 ↓
Lo Low (pH 4.5-6) 1.24 10.67 -70.44 2 7 2 67 333.465 3 ↓

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

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