UCSF

ZINC70304393

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 19 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) 1.65 5.05 -125.09 4 4 2 50 277.29 6
Hi High (pH 8-9.5) 1.65 3.62 -45.34 3 4 1 46 276.282 6
Hi High (pH 8-9.5) 1.46 2.71 -29.66 2 4 0 52 275.274 6
Mid Mid (pH 6-8) 1.65 2.79 -45.96 3 4 1 49 276.282 6

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Rings

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