UCSF

ZINC06484150

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 20 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) 4.59 7.7 -9.51 1 3 0 47 333.181 4
Hi High (pH 8-9.5) 4.59 8.71 -51.66 0 3 -1 49 332.173 4

Activity (Go SEA)

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