UCSF

ZINC71500874

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 14 Yes

Popular Name: (2R)-2-(o-tolylmethyl)piperazine (2R)-2-(o-tolylmethyl)piperazine

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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) 1.59 3.72 -39.46 3 2 1 29 191.298 2 ↓
Hi High (pH 8-9.5) 1.59 2.38 -2.44 2 2 0 24 190.29 2 ↓
Hi High (pH 8-9.5) 1.59 3.66 -34.45 3 2 1 29 191.298 2 ↓
Lo Low (pH 4.5-6) 1.59 4.99 -120.1 4 2 2 33 192.306 2 ↓

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Rings

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

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