UCSF

ZINC47274396

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 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) 2.16 4.45 -45.15 4 5 1 77 324.832 7
Hi High (pH 8-9.5) 2.16 2.73 -14.97 3 5 0 75 323.824 7

Activity (Go SEA)

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