UCSF

ZINC37834958

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.51 8.58 -63.3 0 5 -1 74 345.213 6
Lo Low (pH 4.5-6) 2.51 6.74 -14.82 1 5 0 71 346.221 6

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Rings

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