UCSF

ZINC49549960

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 Yes

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

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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) -1.71 3.34 -86.57 3 6 2 63 344.459 4 ↓
Hi High (pH 8-9.5) -1.71 1.8 -13.19 1 6 0 65 342.443 4 ↓
Hi High (pH 8-9.5) 1.87 5.07 -36.66 2 6 1 61 343.451 5 ↓
Mid Mid (pH 6-8) -1.71 4.11 -47.06 2 6 1 66 343.451 4 ↓
Mid Mid (pH 6-8) -1.71 1.02 -30.77 2 6 1 62 343.451 4 ↓
Lo Low (pH 4.5-6) -1.71 5.71 -175.77 4 6 3 65 345.467 4 ↓

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

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