UCSF

ZINC18209350

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 29 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) 2.83 6.78 -56.25 0 6 -1 73 431.921 6
Mid Mid (pH 6-8) 2.83 9.12 -72.66 1 6 0 74 432.929 6
Lo Low (pH 4.5-6) 2.83 8.3 -55.48 2 6 1 71 433.937 6

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

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