UCSF

ZINC21022177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 17 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) 0.77 0.08 -51.28 1 6 -1 96 278.331 6
Hi High (pH 8-9.5) 0.77 -0.32 -100.51 0 6 -2 98 277.323 6

Activity (Go SEA)

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