UCSF

ZINC53624369

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 27 Yes

Popular Name: (4R)-4-(4-methoxyphenyl)-8-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrimido[1,2-a][1,3,5]triazin-6-ol (4R)-4-(4-methoxyphenyl)-8-methy…

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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) 2.10 9.13 -13.41 1 8 0 83 368.441 3 ↓
Hi High (pH 8-9.5) 2.10 7.99 -42.24 0 8 -1 81 367.433 3 ↓
Lo Low (pH 4.5-6) 2.04 10.91 -80.08 3 8 1 87 369.449 3 ↓

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

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