UCSF

ZINC38610172

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.78 11 -17.59 2 8 0 115 460.877 5
Mid Mid (pH 6-8) 4.78 11.77 -53.36 1 8 -1 118 459.869 5

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