UCSF

ZINC67540495

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 Yes

Popular Name: 3-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]acetyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-[3-(4-pyridyl)-1H-1,2,4-tri…

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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) -0.93 0.91 -22.12 3 9 0 116 355.402 3 ↓
Hi High (pH 8-9.5) -0.93 0.56 -56.26 2 9 -1 114 354.394 3 ↓
Mid Mid (pH 6-8) -0.93 2.06 -68.55 4 9 1 120 356.41 3 ↓

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

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