UCSF

ZINC58537529

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.00 9.77 -45.48 2 4 1 51 357.499 6
Mid Mid (pH 6-8) 3.00 7.62 -14.62 1 4 0 49 356.491 6

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