UCSF

ZINC62526418

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 18 Yes

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) 1.88 3.89 -47.9 4 4 1 60 254.398 7
Lo Low (pH 4.5-6) 1.88 4.87 -114.09 5 4 2 64 255.406 7

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

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