UCSF

ZINC20259903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 14 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) 2.85 7.44 -49.93 0 2 -1 40 189.234 4
Lo Low (pH 4.5-6) 2.85 6.35 -6.09 1 2 0 37 190.242 4

Activity (Go SEA)

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