UCSF

ZINC31976289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 3.72 8.17 -9.85 2 4 0 65 290.388 6
Hi High (pH 8-9.5) 3.72 8.23 -42.15 1 4 -1 63 289.38 6
Lo Low (pH 4.5-6) 3.72 8.66 -30.58 3 4 1 66 291.396 6

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