UCSF

ZINC44003201

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.37 5.22 -11.07 2 5 0 74 273.336 4
Hi High (pH 8-9.5) 3.82 3.46 -45.58 1 5 -1 77 272.328 4

Activity (Go SEA)

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