UCSF

ZINC49548595

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 No

Popular Name: 3-[3-(dimethylamino)propylamino]-4-[[(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-ethyl]amino]cyclobut-3 3-[3-(dimethylamino)propylamino]…

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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) 0.03 6.2 -120.82 3 7 0 71 401.555 9 ↓
Hi High (pH 8-9.5) 0.03 3.77 -60.69 2 7 0 69 400.547 9 ↓
Hi High (pH 8-9.5) 0.03 3.81 -59.34 2 7 0 69 400.547 9 ↓
Mid Mid (pH 6-8) 0.03 6.15 -147.85 3 7 0 71 401.555 9 ↓

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Rings

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

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