UCSF

ZINC49550029

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 Yes

Popular Name: 3-(4-methylpiperazin-1-yl)-4-[[(2S)-2-(4-methylpiperazin-1-yl)-2-phenyl-ethyl]amino]cyclobut-3-ene-1 3-(4-methylpiperazin-1-yl)-4-[[(…

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Download: MOL2 SDF SMILES Flexibase

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) -1.82 2.84 -87.42 3 7 2 67 399.539 4 ↓
Hi High (pH 8-9.5) -1.82 1.25 -12.65 1 7 0 68 397.523 4 ↓
Hi High (pH 8-9.5) -2.46 2.3 -29.38 2 7 1 62 398.531 5 ↓
Lo Low (pH 4.5-6) -1.82 5.21 -185.35 4 7 3 68 400.547 4 ↓

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Rings

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

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