UCSF

ZINC35111885

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 10 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) 0.58 -0.06 -6.27 2 3 0 45 158.226 3
Lo Low (pH 4.5-6) 0.58 0.38 -26.08 3 3 1 46 159.234 3

Activity (Go SEA)

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