UCSF

ZINC21008944

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 2.80 6.71 -122.51 4 3 2 41 304.356 5
Mid Mid (pH 6-8) 2.80 4.9 -44.45 3 3 1 40 303.348 5

Activity (Go SEA)

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