UCSF

ZINC67725705

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 17 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) -0.67 -0.14 -51.52 4 4 1 60 276.451 2
Hi High (pH 8-9.5) -0.67 -0.43 -6.86 3 4 0 58 275.443 2

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

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