UCSF

ZINC05392410

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 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) 2.35 -4.94 -13.36 2 5 0 75 304.371 4
Hi High (pH 8-9.5) 2.35 -4.37 -45.42 1 5 -1 77 303.363 4

Activity (Go SEA)

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