UCSF

ZINC41074059

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 35 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) 3.53 9.9 -56.46 0 8 -1 105 482.545 5
Lo Low (pH 4.5-6) 3.07 12.6 -14.14 1 8 0 102 483.553 5

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

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