UCSF

ZINC39308617

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 25 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) 4.26 8.58 -42.79 3 3 1 45 334.439 2
Mid Mid (pH 6-8) 4.26 6.43 -8.12 2 3 0 44 333.431 2

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