UCSF

ZINC22464906

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 23 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) 3.07 7.74 -44.08 2 4 1 37 372.29 3
Hi High (pH 8-9.5) 3.07 6.32 -7.59 1 4 0 33 371.282 3
Lo Low (pH 4.5-6) 3.07 8.16 -83.15 3 4 2 38 373.298 3

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

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