UCSF

ZINC20437419

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 31 No

Popular Name: (3R)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione (3R)-3-[3-[4-(3-chlorophenyl)pip…

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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) 2.83 10.31 -53.62 2 6 1 57 445.946 7 ↓
Hi High (pH 8-9.5) 2.83 8.1 -11.37 1 6 0 56 444.938 7 ↓
Hi High (pH 8-9.5) 2.83 8.1 -13.26 1 6 0 56 444.938 7 ↓
Mid Mid (pH 6-8) 2.83 10.4 -143.38 3 6 2 62 446.954 7 ↓
Mid Mid (pH 6-8) 2.83 8.03 -66.29 2 6 1 60 445.946 7 ↓

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