UCSF

ZINC27558170

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 24 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) 2.76 7.78 -57.5 1 5 -1 91 323.324 4
Mid Mid (pH 6-8) 2.76 6.7 -20.86 2 5 0 88 324.332 4

Activity (Go SEA)

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