UCSF

ZINC66157448

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 25 Yes

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) 0.40 -0.41 -71.94 5 8 1 121 368.797 5
Mid Mid (pH 6-8) 0.40 -1.84 -19.07 4 8 0 117 367.789 5

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

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