UCSF

ZINC69880373

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 22 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) 3.53 8.19 -9.24 0 4 0 40 353.9 6
Lo Low (pH 4.5-6) 3.53 8.64 -28.36 1 4 1 41 354.908 6

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

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