UCSF

ZINC49546389

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 27 No

Popular Name: 3-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-4-[3-(dimethylamino)propylamino]cyclobut- 3-[[(2S)-2-(dimethylamino)-2-(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) 0.19 5.69 -125.23 3 7 0 77 376.501 10 ↓
Hi High (pH 8-9.5) 0.19 4.46 -58.36 2 7 0 75 375.493 10 ↓
Hi High (pH 8-9.5) 0.19 4.6 -48.23 2 7 0 75 375.493 10 ↓
Mid Mid (pH 6-8) 0.19 6.98 -147.04 3 7 0 77 376.501 10 ↓

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Rings

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

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