UCSF

ZINC20119700

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 24 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) 1.63 6.16 -19.82 2 10 0 126 329.32 3
Hi High (pH 8-9.5) 1.25 4.66 -58.65 1 10 -1 132 328.312 4
Mid Mid (pH 6-8) 1.63 5.96 -63.46 1 10 -1 124 328.312 3

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

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