UCSF

ZINC42853177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 27 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) 2.58 2.09 -20.35 3 9 0 119 388.405 5
Hi High (pH 8-9.5) 2.77 -0.55 -51.94 2 9 -1 125 387.397 5

Activity (Go SEA)

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