UCSF

ZINC57939880

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 23 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) -0.12 2.03 -19.26 3 6 0 87 337.376 4
Hi High (pH 8-9.5) 0.06 -0.63 -50.38 2 6 -1 94 336.368 4

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

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