UCSF

ZINC25166638

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 27 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) -0.72 4.51 -26.39 4 10 0 153 390.425 6
Mid Mid (pH 6-8) -0.26 2.72 -62.82 3 10 -1 156 389.417 6

Activity (Go SEA)

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