UCSF

ZINC35721778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 16 Yes

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) 0.74 5.08 -45.76 1 4 -1 69 224.211 5
Lo Low (pH 4.5-6) 0.74 3.11 -9.15 2 4 0 66 225.219 5

Activity (Go SEA)

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