UCSF

ZINC15941193

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 33 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) 1.01 9.63 -18.54 0 8 0 91 444.491 4
Lo Low (pH 4.5-6) 1.01 10.14 -40.43 1 8 1 92 445.499 4

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

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