UCSF

ZINC40053215

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 37 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) 4.68 10.3 -62.56 1 8 -1 112 506.575 13
Mid Mid (pH 6-8) 4.68 9.42 -16.71 2 8 0 109 507.583 13

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