UCSF

ZINC65525716

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 27 Yes

Popular Name: 1-[4-[[(1S)-1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]amino]-2-methyl-5,6,8,9-tetrahydropyrimido[4, 1-[4-[[(1S)-1-(1-ethyl-3,5-dimet…

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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) 1.23 9.04 -41.67 2 7 1 77 371.509 4 ↓
Mid Mid (pH 6-8) 1.23 8.66 -13.8 1 7 0 76 370.501 4 ↓
Lo Low (pH 4.5-6) 1.23 9.18 -81.23 3 7 2 78 372.517 4 ↓

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

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