UCSF

ZINC48558191

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 17 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) 2.29 8.85 -36.49 1 3 1 41 224.287 3
Mid Mid (pH 6-8) 2.29 8.86 -7.59 0 3 0 40 223.279 3

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