UCSF

ZINC04675730

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 24 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) 4.60 8.06 -10.58 2 5 0 70 339.42 5
Hi High (pH 8-9.5) 3.67 7.74 -43.28 1 5 -1 69 338.412 6

Activity (Go SEA)

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