UCSF

ZINC42391627

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) -1.09 -1.16 -44.57 4 4 1 60 186.279 4
Mid Mid (pH 6-8) -1.09 0.69 -34.18 4 4 1 60 186.279 4

Activity (Go SEA)

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