UCSF

ZINC39856486

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.56 12.12 -18.59 1 4 0 51 386.904 6
Hi High (pH 8-9.5) 5.74 9.77 -46.39 0 4 -1 58 385.896 6

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