UCSF

ZINC49545788

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 No

Popular Name: 3-[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]-4-[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2- 3-[[(2S)-2-(dimethylamino)-2-phe…

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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) 0.13 6.39 -123.53 3 6 0 67 346.475 9 ↓
Mid Mid (pH 6-8) 0.13 5.31 -55.65 2 6 0 66 345.467 9 ↓
Mid Mid (pH 6-8) 0.13 7.68 -144.96 3 6 0 67 346.475 9 ↓
Mid Mid (pH 6-8) 0.13 5.35 -47.57 2 6 0 66 345.467 9 ↓

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Rings

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

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