UCSF

ZINC43410070

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

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) 4.38 7.94 -46.75 3 2 1 41 305.854 3
Hi High (pH 8-9.5) 4.38 7.51 -5.27 2 2 0 39 304.846 3

Activity (Go SEA)

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