UCSF

ZINC41663018

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.81 10.12 -11.59 0 6 0 55 456.542 6
Lo Low (pH 4.5-6) 4.81 13.71 -118.09 2 6 0 58 458.558 6
Lo Low (pH 4.5-6) 4.81 12.96 -54.97 1 6 1 56 457.55 6

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