UCSF

ZINC26824876

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

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) 5.35 11.95 -55.47 0 3 -1 57 341.471 5
Lo Low (pH 4.5-6) 5.35 10.84 -12.49 1 3 0 54 342.479 5

Activity (Go SEA)

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