UCSF

ZINC05828263

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 12 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) -3.98 -1.5 -79.67 8 7 1 140 177.184 5
Hi High (pH 8-9.5) -3.98 -1.81 -49.46 7 7 0 138 176.176 5

Activity (Go SEA)

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