UCSF

ZINC65497231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 20 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) 1.78 3.52 -41.23 4 5 1 71 274.344 3
Hi High (pH 8-9.5) 1.78 3.05 -9.81 3 5 0 70 273.336 3
Mid Mid (pH 6-8) 1.78 4.06 -45.48 4 5 1 75 274.344 3
Mid Mid (pH 6-8) 1.78 4.52 -108.54 5 5 2 76 275.352 3

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

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