UCSF

ZINC36104732

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 No

Popular Name: 2-ethyl-5-[(S)-[(3S)-3-methyl-1-piperidyl]-(4-nitrophenyl)methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(S)-[(3S)-3-methyl-1-…

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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) 4.00 10.85 -40.53 1 8 0 104 401.492 5 ↓
Hi High (pH 8-9.5) 4.00 8.83 -44.55 0 8 -1 102 400.484 5 ↓

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

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