UCSF

ZINC49523828

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 36 No

Popular Name: N-[[1-[(4-fluorophenyl)carbamoyl]-4-piperidyl]methyl]-N'-(oxoBLAHyl)oxamide N-[[1-[(4-fluorophenyl)carbamoyl…

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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) 2.42 8.3 -19.66 3 9 0 111 493.539 5 ↓
Ref Reference (pH 7) 3.19 6.2 -18.25 4 9 0 116 493.539 5 ↓
Hi High (pH 8-9.5) 3.19 6.98 -58.42 3 9 -1 119 492.531 5 ↓

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

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