UCSF

ZINC37333033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 2.13 3.18 -9.16 3 5 0 77 340.202 1
Lo Low (pH 4.5-6) 2.13 3.19 -32.99 4 5 1 78 341.21 1

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

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