UCSF

ZINC03955766

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 16 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) 0.22 5.77 -106.28 3 3 2 34 219.332 2
Hi High (pH 8-9.5) 0.22 2.7 -43.02 2 3 1 33 218.324 2

Activity (Go SEA)

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