UCSF

ZINC22362759

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 28 No

Popular Name: (5S)-3-amino-2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-cyclohex-2-en-1-one (5S)-3-amino-2-[(4-benzylpiperaz…

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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) 3.92 10.06 -13.51 2 4 0 55 375.516 5 ↓
Hi High (pH 8-9.5) 3.92 7.68 -38.14 1 4 -1 53 374.508 5 ↓
Lo Low (pH 4.5-6) 3.25 9.98 -43.41 3 4 1 51 376.524 5 ↓

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

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