UCSF

ZINC53441683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 No

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) 0.72 0.53 -63.41 2 5 1 63 291.437 5
Mid Mid (pH 6-8) 0.72 -0.65 -11.9 1 5 0 59 290.429 5
Lo Low (pH 4.5-6) 0.72 2.69 -148.59 3 5 2 64 292.445 5

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

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