UCSF

ZINC12414690

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 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) 2.73 3.7 -45.63 1 7 -1 103 322.366 7
Lo Low (pH 4.5-6) 2.73 3.87 -31.82 2 7 0 104 323.374 7

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

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