UCSF

ZINC55082514

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 2.15 8.56 -88.52 3 5 2 50 293.459 7
Hi High (pH 8-9.5) 2.15 6.72 -41.39 2 5 1 49 292.451 7
Hi High (pH 8-9.5) 2.15 5.36 -6.48 1 5 0 44 291.443 7

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

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