UCSF

ZINC39302668

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 39 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) 3.74 13.97 -23.75 0 7 0 62 527.665 9
Mid Mid (pH 6-8) 3.74 16.18 -63.06 1 7 1 64 528.673 9

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