UCSF

ZINC69351806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 22 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) -0.90 -4.51 -19.11 4 8 0 106 314.386 7
Lo Low (pH 4.5-6) -0.90 -1.48 -57.34 5 8 1 107 315.394 7

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

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