UCSF

ZINC45218939

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 16 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) 0.50 2.85 -12.28 2 6 0 93 238.32 5
Lo Low (pH 4.5-6) 0.50 3.12 -57.92 3 6 1 95 239.328 5

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

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