UCSF

ZINC52834795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 14 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) 0.11 4.24 -38.74 4 5 1 66 199.278 3
Mid Mid (pH 6-8) 0.11 2.02 -5.7 3 5 0 65 198.27 3

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

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