UCSF

ZINC42372379

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 15 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) 0.09 7.55 -48.58 0 5 -1 69 208.241 5
Mid Mid (pH 6-8) 0.09 7.93 -48.13 1 5 0 70 209.249 5

Activity (Go SEA)

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