UCSF

ZINC33759477

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 26 No

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) -0.45 7.59 -41.98 2 7 0 118 355.394 4
Hi High (pH 8-9.5) -0.45 6.79 -62.77 1 7 -1 113 354.386 4
Hi High (pH 8-9.5) -0.45 6.62 -49.98 1 7 -1 113 354.386 4

Activity (Go SEA)

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