UCSF

ZINC36130612

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

Popular Name: 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]amino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-di 3-[[3-[4-(3-chlorophenyl)piperaz…

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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) -1.58 6.64 -40.52 2 7 1 76 417.917 5 ↓
Hi High (pH 8-9.5) -0.95 4.68 -23.35 1 7 0 82 416.909 4 ↓
Mid Mid (pH 6-8) -0.95 4.96 -110.03 3 7 2 81 418.925 4 ↓

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

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