UCSF

ZINC62978316

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 17 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) 0.76 4.25 -103.52 4 3 2 35 259.463 5
Hi High (pH 8-9.5) 0.76 1.22 -1.99 2 3 0 32 257.447 5
Mid Mid (pH 6-8) 0.76 2.04 -46.06 3 3 1 34 258.455 5

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

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