UCSF

ZINC62153996

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 38 Yes

Popular Name: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hy 2-[[2-[bis(2-hydroxyethyl)amino]…

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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) -0.44 5.16 -86.55 6 14 2 154 536.682 12 ↓
Hi High (pH 8-9.5) -0.44 0.45 -10.81 4 14 0 152 534.666 12 ↓
Mid Mid (pH 6-8) -0.44 2.82 -45.93 5 14 1 153 535.674 12 ↓

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

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