UCSF

ZINC53313025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 36 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) 6.55 14.49 -16.38 1 4 0 64 492.7 4
Hi High (pH 8-9.5) 6.55 15.27 -68.38 0 4 -1 66 491.692 4

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

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