UCSF

ZINC28263538

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 19 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) 2.17 5.97 -9.03 4 5 0 87 258.325 3
Mid Mid (pH 6-8) 2.17 6.46 -35.25 5 5 1 88 259.333 3

Activity (Go SEA)

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