UCSF

ZINC64539188

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 No

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) 2.26 9.53 -57.51 1 6 -1 92 376.388 4
Hi High (pH 8-9.5) 2.26 10.51 -134.39 0 6 -2 94 375.38 4

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

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