UCSF

ZINC15226782

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.62 1.94 -21.99 5 6 0 100 224.195 2
Hi High (pH 8-9.5) 1.62 2.96 -67.98 4 6 -1 103 223.187 2
Lo Low (pH 4.5-6) 1.62 1 -45.03 6 6 1 98 225.203 2

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

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