UCSF

ZINC47550297

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

    None

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) 3.86 7.26 -42.53 3 5 1 63 340.532 9
Hi High (pH 8-9.5) 3.86 5.41 -14.17 2 5 0 61 339.524 9

Activity (Go SEA)

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