UCSF

ZINC58345364

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 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) 1.25 6.79 -58.22 3 6 1 67 326.424 5
Hi High (pH 8-9.5) 1.25 5.59 -13.06 2 6 0 62 325.416 5
Mid Mid (pH 6-8) 1.25 6.95 -100.77 4 6 2 68 327.432 5

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

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