UCSF

ZINC39980892

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 28 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) 2.91 8.99 -13.14 1 6 0 75 377.444 5
Hi High (pH 8-9.5) 3.37 6.73 -49.89 0 6 -1 78 376.436 5

Activity (Go SEA)

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