UCSF

ZINC43460845

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 1.83 4.47 -47.94 3 4 1 58 270.154 4
Hi High (pH 8-9.5) 1.83 4.02 -50.96 2 4 0 56 269.146 4

Activity (Go SEA)

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