UCSF

ZINC65494171

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 20 No

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) 1.04 5.74 -52.25 2 6 -1 99 290.324 2
Lo Low (pH 4.5-6) 1.04 3.74 -17.6 3 6 0 97 291.332 2

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

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