UCSF

ZINC24193151

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 31 No

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) -2.25 6.89 -28.07 3 9 1 106 425.513 5
Mid Mid (pH 6-8) -2.25 9.24 -80.77 4 9 2 107 426.521 5

Activity (Go SEA)

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