UCSF

ZINC33687682

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.23 3.68 -28.25 2 8 0 106 366.377 4
Lo Low (pH 4.5-6) 0.23 3.41 -60.6 3 8 1 107 367.385 4
Lo Low (pH 4.5-6) 0.23 4.23 -58.62 3 8 1 107 367.385 4

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