UCSF

ZINC65322196

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 26 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) 4.29 11.61 -44.35 2 5 1 51 357.522 8
Mid Mid (pH 6-8) 4.29 9.4 -10.94 1 5 0 50 356.514 8

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

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