UCSF

ZINC65507212

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 No

Popular Name: 2-[(3S)-5-isobutyl-2-(2-pyridyl)-3,4-dihydro-1,2,4-triazol-3-yl]-3H-quinazolin-4-one 2-[(3S)-5-isobutyl-2-(2-pyridyl)…

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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) 3.06 9.14 -13.03 2 7 0 86 348.41 4 ↓
Hi High (pH 8-9.5) 3.52 7.54 -55.38 1 7 -1 89 347.402 4 ↓
Mid Mid (pH 6-8) 3.06 9.04 -34.75 3 7 1 88 349.418 4 ↓

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

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