UCSF

ZINC44417497

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 29 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) 8.54 13.85 -47.87 1 5 -1 86 424.627 18
Hi High (pH 8-9.5) 8.54 13.9 -118.88 0 5 -2 88 423.619 18

Activity (Go SEA)

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