UCSF

ZINC04891842

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 28 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) 2.97 2.39 -15.48 3 7 0 109 380.352 3
Hi High (pH 8-9.5) 2.97 2.36 -44.33 2 7 -1 112 379.344 3

Activity (Go SEA)

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