UCSF

ZINC43391390

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 4.09 9.33 -40.84 2 2 1 29 325.86 5
Mid Mid (pH 6-8) 4.09 8.36 -5.31 1 2 0 25 324.852 5

Activity (Go SEA)

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