UCSF

ZINC36723050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 34 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) 2.52 7.8 -15.77 0 8 0 72 487.622 7
Mid Mid (pH 6-8) 2.52 10.04 -49.89 1 8 1 73 488.63 7

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