UCSF

ZINC36118768

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 33 Yes

Popular Name: 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-di 3-[[4-(4-phenylpiperazine-1-carb…

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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) -0.82 9.25 -36.94 2 7 1 76 451.591 5 ↓
Hi High (pH 8-9.5) -0.19 7.33 -22.07 1 7 0 82 450.583 4 ↓
Mid Mid (pH 6-8) -0.19 7.59 -110.46 3 7 2 81 452.599 4 ↓

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

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