UCSF

ZINC65314615

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 23 Yes

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) 2.83 8.61 -19.97 2 7 0 81 331.763 4
Hi High (pH 8-9.5) 2.46 6.96 -58.58 1 7 -1 87 330.755 5

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

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