UCSF

ZINC66166766

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 40 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) 3.92 12.84 -28.21 2 8 0 98 562.114 6
Lo Low (pH 4.5-6) 3.92 13.19 -48.64 3 8 1 100 563.122 6

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

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