UCSF

ZINC43703329

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 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) -0.96 2.08 -49.75 2 7 -1 109 250.234 3
Lo Low (pH 4.5-6) -0.96 2.43 -62.64 3 7 0 110 251.242 3

Activity (Go SEA)

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