UCSF

ZINC35734028

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 18 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) 2.63 8.44 -8.83 1 3 0 38 280.418 2
Hi High (pH 8-9.5) 3.09 7.47 -37.48 0 3 -1 41 279.41 2

Activity (Go SEA)

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