UCSF

ZINC43426486

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 2.15 4.71 -6.1 0 3 0 30 237.343 1
Lo Low (pH 4.5-6) 2.15 6.73 -30.71 1 3 1 31 238.351 1

Activity (Go SEA)

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