UCSF

ZINC54722944

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 23 Yes

Popular Name: (2-hydroxy-5-methyl-phenyl)-[4-(3-pyridylmethyl)piperazin-1-yl]methanone (2-hydroxy-5-methyl-phenyl)-[4-(…

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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) 1.87 4.03 -12.93 1 5 0 57 311.385 3 ↓
Hi High (pH 8-9.5) 1.87 4.86 -55.98 0 5 -1 59 310.377 3 ↓
Lo Low (pH 4.5-6) 1.87 6.26 -51.88 2 5 1 58 312.393 3 ↓

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Rings

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

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