UCSF

ZINC55487693

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 18 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) 2.25 2.55 -32.74 3 5 0 85 259.29 1
Lo Low (pH 4.5-6) 2.25 3.29 -69.27 4 5 1 86 260.298 1

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

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