UCSF

ZINC62608531

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 20 Yes

Popular Name: (7S)-2-[(2-chloro-4-fluoro-phenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-[(2-chloro-4-fluoro-pheny…

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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) 4.13 8.14 -39.73 2 2 1 29 311.833 3 ↓
Hi High (pH 8-9.5) 4.13 6.73 -5.86 1 2 0 25 310.825 3 ↓

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

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