UCSF

ZINC55182760

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 23 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) 2.20 6.43 -14.66 0 6 0 71 328.445 5
Lo Low (pH 4.5-6) 2.20 8.5 -64.73 1 6 1 72 329.453 5

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

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