UCSF

ZINC66152721

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 17 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) 0.31 -1.67 -9.27 3 6 0 83 237.259 4
Mid Mid (pH 6-8) 0.31 -0.4 -42.84 4 6 1 88 238.267 4

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

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