UCSF

ZINC40303078

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 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) 2.73 4.07 -6.9 3 3 0 55 238.356 3
Lo Low (pH 4.5-6) 2.73 3.91 -34.37 4 3 1 57 239.364 3

Activity (Go SEA)

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