UCSF

ZINC31975606

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.67 6.17 -62.09 3 5 1 63 318.784 4
Hi High (pH 8-9.5) 2.67 5.85 -11.45 2 5 0 62 317.776 4
Lo Low (pH 4.5-6) 2.67 6.58 -114.58 4 5 2 65 319.792 4

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