UCSF

ZINC43463492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.78 5.97 -5.24 1 3 0 47 317.09 5
Mid Mid (pH 6-8) 3.78 6.62 -35.78 0 3 -1 49 316.082 5

Activity (Go SEA)

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