UCSF

ZINC42813714

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 2.37 3.76 -6.71 3 4 0 60 257.337 3
Mid Mid (pH 6-8) 2.37 4.25 -29.05 4 4 1 61 258.345 3

Activity (Go SEA)

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