UCSF

ZINC54911427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 16 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) 0.19 -0.46 -16.18 1 5 0 71 262.356 3
Lo Low (pH 4.5-6) 0.19 -0.07 -41.3 2 5 1 72 263.364 3

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

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