UCSF

ZINC40116945

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 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) 2.89 3.48 -56.5 2 6 -1 99 417.235 4
Hi High (pH 8-9.5) 2.89 4.4 -114.46 1 6 -2 102 416.227 4
Lo Low (pH 4.5-6) 2.89 2.71 -15.77 3 6 0 96 418.243 4

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