UCSF

ZINC65564371

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 23 Yes

Popular Name: 6-methyl-2-[(3S)-3-[(4-methylpiperazin-1-yl)methyl]-1-piperidyl]imidazo[2,1-b][1,3,4]thiadiazole 6-methyl-2-[(3S)-3-[(4-methylpip…

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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) 1.84 8.56 -42.55 1 6 1 41 335.501 3 ↓
Hi High (pH 8-9.5) 1.84 6.19 -10.32 0 6 0 40 334.493 3 ↓
Hi High (pH 8-9.5) 1.84 8.25 -49.52 1 6 1 41 335.501 3 ↓
Lo Low (pH 4.5-6) 1.84 9 -69.67 2 6 2 42 336.509 3 ↓

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Rings

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

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