UCSF

ZINC17112980

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 33 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) 3.50 7.57 -101.82 0 9 -2 138 464.817 5
Lo Low (pH 4.5-6) 3.05 9.41 -58.93 1 9 -1 134 465.825 5

Activity (Go SEA)

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