UCSF

ZINC96347623

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2014 31 No

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) 4.40 11.47 -59.29 0 8 -1 112 410.413 5
Lo Low (pH 4.5-6) 4.40 11.82 -77.41 1 8 0 114 411.421 5

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

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