UCSF

ZINC69975814

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 13 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) 0.16 -1.13 -45.64 0 5 -1 71 181.171 1
Lo Low (pH 4.5-6) -0.29 1.59 -12.8 1 5 0 68 182.179 1

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

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