UCSF

ZINC52225975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 14 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) 1.03 4.31 -12.38 0 4 0 44 208.652 3
Lo Low (pH 4.5-6) 1.03 4.78 -43.95 1 4 1 45 209.66 3

Activity (Go SEA)

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