UCSF

ZINC39302687

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 Yes

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) 2.54 9.63 -21.37 0 7 0 62 451.567 7
Mid Mid (pH 6-8) 2.54 11.86 -51.74 1 7 1 64 452.575 7

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