UCSF

ZINC70005486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 13 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) -0.56 -0.2 -44.71 2 4 1 56 200.287 3
Hi High (pH 8-9.5) -0.56 -1.64 -9.07 1 4 0 51 199.279 3

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

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