UCSF

ZINC55280921

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 21 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) 1.83 6.54 -13.26 1 6 0 69 306.439 8
Lo Low (pH 4.5-6) 1.83 7.58 -51.14 2 6 1 73 307.447 8

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

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