UCSF

ZINC22740791

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 35 No

Download: MOL2 SDF SMILES Flexibase

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) 5.33 17.31 -23.09 1 8 0 106 483.553 5
Hi High (pH 8-9.5) 5.51 17.19 -43.23 0 8 -1 107 482.545 5
Mid Mid (pH 6-8) 1.08 5.69 -11.33 1 5 0 59 322.43 5

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

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