UCSF

ZINC49333764

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 13 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) -1.22 5.61 -81.48 3 4 1 61 187.263 6
Mid Mid (pH 6-8) -1.22 3.15 -34.93 2 4 0 60 186.255 6

Activity (Go SEA)

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