UCSF

ZINC84847539

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 35 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) -3.19 6.14 -193.89 6 15 -3 249 486.421 9
Lo Low (pH 4.5-6) -3.19 4.12 -131.65 7 15 -2 246 487.429 9

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

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