UCSF

ZINC04909728

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 30 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) 2.94 11.13 -12.42 1 6 0 73 405.498 9
Lo Low (pH 4.5-6) 2.94 11.41 -45.68 2 6 1 74 406.506 9

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

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