UCSF

ZINC62962924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) -2.04 -4.27 -53.35 4 6 1 97 248.328 2
Hi High (pH 8-9.5) -2.04 -5.63 -11.05 3 6 0 93 247.32 2

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

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