UCSF

ZINC41588075

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 No

Popular Name: N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N'-phenyl-oxamide N-[[2-[(4-ethylpiperazin-1-yl)me…

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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) 1.64 8.16 -32.64 3 6 1 66 381.5 7 ↓
Mid Mid (pH 6-8) 1.64 7.64 -35.06 3 6 1 66 381.5 7 ↓
Mid Mid (pH 6-8) 1.64 5.87 -5.54 2 6 0 65 380.492 7 ↓

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

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