UCSF

ZINC14224995

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 31 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) 4.66 6.23 -18.99 2 9 0 138 502.357 7
Hi High (pH 8-9.5) 4.66 6.32 -50.59 1 9 -1 140 501.349 7
Mid Mid (pH 6-8) 4.66 6.53 -96.73 0 9 -2 142 500.341 7

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

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