UCSF

ZINC62983678

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) -0.49 5.81 -72.44 1 5 0 65 226.276 3
Hi High (pH 8-9.5) -0.49 3.4 -51.42 0 5 -1 64 225.268 3

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

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