UCSF

ZINC36118653

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 34 Yes

Popular Name: 3-[[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene- 3-[[4-[4-(2-fluorophenyl)piperaz…

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Annotations

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Vendors

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) -0.74 6.56 -38.24 2 7 1 79 463.533 4 ↓
Hi High (pH 8-9.5) -0.74 7.35 -24.28 1 7 0 82 462.525 4 ↓
Hi High (pH 8-9.5) 2.84 8.37 -15.34 1 7 0 76 462.525 5 ↓
Mid Mid (pH 6-8) -0.74 7.63 -112.14 3 7 2 81 464.541 4 ↓

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Rings

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

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