UCSF

ZINC68849939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 19 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) 4.08 8.72 -52.69 0 4 -1 58 291.739 2
Lo Low (pH 4.5-6) 4.08 9.22 -47.11 1 4 0 59 292.747 2

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

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