UCSF

ZINC23027975

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 15 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) -1.06 2.9 -20.58 1 5 0 67 223.257 2
Hi High (pH 8-9.5) -1.06 1.24 -46.79 0 5 -1 69 222.249 1

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

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