UCSF

ZINC39237981

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 34 Yes

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) 4.90 9.23 -15.79 1 7 0 85 470.554 5
Lo Low (pH 4.5-6) 4.90 10.22 -46.19 2 7 1 87 471.562 5

Activity (Go SEA)

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