UCSF

ZINC19453799

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 26 Yes

Popular Name: 5-isopropyl-3-[[(3S)-1-(2-thienylmethyl)-3-piperidyl]methyl]triazolo[4,5-e]pyrimidin-7-ol 5-isopropyl-3-[[(3S)-1-(2-thieny…

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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) 2.90 6.33 -72.39 1 7 0 84 372.498 5 ↓
Hi High (pH 8-9.5) 2.90 4.05 -49.93 0 7 -1 83 371.49 5 ↓
Mid Mid (pH 6-8) 2.44 7.3 -57.99 2 7 1 81 373.506 5 ↓

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

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