UCSF

ZINC27889392

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 23 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) -2.31 -1.72 -151.14 4 12 -2 192 347.224 8
Mid Mid (pH 6-8) -2.31 -2.92 -63.37 5 12 -1 189 348.232 8

Activity (Go SEA)

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