UCSF

ZINC39272876

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.88 10.31 -36.82 1 7 1 70 380.863 2
Hi High (pH 8-9.5) 2.88 9.99 -11.71 0 7 0 69 379.855 2

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

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