UCSF

ZINC38630868

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 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) 2.19 7.98 -44.58 2 5 1 50 360.453 5
Mid Mid (pH 6-8) 2.19 5.6 -9.13 1 5 0 49 359.445 5

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