UCSF

ZINC26547565

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 11 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) 2.27 5.79 -6.16 0 2 0 18 152.241 3
Lo Low (pH 4.5-6) 2.27 5.91 -26.12 1 2 1 19 153.249 3

Activity (Go SEA)

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