UCSF

ZINC58332295

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 27 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) 2.45 7.58 -49.47 4 6 1 78 365.457 6
Hi High (pH 8-9.5) 2.45 5.18 -16.31 3 6 0 77 364.449 6

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

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