UCSF

ZINC62604805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 20 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) -0.90 6.4 -38.47 3 7 0 107 300.384 9
Hi High (pH 8-9.5) -0.90 5.37 -47.83 2 7 -1 103 299.376 9

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

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