UCSF

ZINC69179691

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 20 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) 2.90 4.73 -14.02 1 5 0 64 288.328 3
Hi High (pH 8-9.5) 3.36 3 -58.13 0 5 -1 67 287.32 3

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

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