UCSF

ZINC20759105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 32 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) 2.95 6.54 -16.27 1 7 0 78 426.476 3
Mid Mid (pH 6-8) 2.95 6.37 -38.61 2 7 1 79 427.484 3
Lo Low (pH 4.5-6) 2.95 8.73 -110.29 3 7 2 81 428.492 3

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

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