UCSF

ZINC37250158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 23 No

Download: MOL2 SDF SMILES Flexibase

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) -2.57 -4.55 -92.14 2 12 -2 175 344.176 1
Mid Mid (pH 6-8) -3.03 -2.52 -58.81 3 12 -1 172 345.184 1

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

No pre-computed analogs available. Try a structural similarity search.