UCSF

ZINC58128421

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 22 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) 1.92 2.73 -11.08 2 6 0 92 324.764 7
Hi High (pH 8-9.5) 1.92 3.65 -47.93 1 6 -1 94 323.756 7

Activity (Go SEA)

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