UCSF

ZINC65505558

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 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) 1.84 10.55 -123.5 2 6 1 67 347.464 5
Hi High (pH 8-9.5) 1.84 8.3 -78.76 1 6 0 66 346.456 5
Hi High (pH 8-9.5) 1.84 5.84 -57.81 0 6 -1 64 345.448 5
Hi High (pH 8-9.5) 1.84 8.09 -83.93 1 6 0 66 346.456 5

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

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