UCSF

ZINC58304933

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 23 Yes

Popular Name: (2S)-N-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methyl]-3-methyl-2-(4-methylpiperazin-1-yl)butan-1-amin (2S)-N-[(5-methoxy-1,3-dimethyl-…

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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) 1.31 5.03 -94.65 3 6 2 51 325.501 7 ↓
Hi High (pH 8-9.5) 1.31 5.08 -33.07 2 6 1 47 324.493 7 ↓
Hi High (pH 8-9.5) 1.31 2.74 -5.63 1 6 0 46 323.485 7 ↓
Hi High (pH 8-9.5) 1.31 2.64 -40.57 2 6 1 50 324.493 7 ↓

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Rings

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

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