UCSF

ZINC27522848

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 38 No

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) 5.07 11.1 -51.94 0 8 -1 103 513.57 9
Lo Low (pH 4.5-6) 4.61 12.87 -17.22 1 8 0 100 514.578 9

Activity (Go SEA)

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