UCSF

ZINC14742762

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 38 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) 3.48 11.49 -17.73 2 9 0 107 513.598 11
Lo Low (pH 4.5-6) 3.48 11.75 -49.97 3 9 1 109 514.606 11
Lo Low (pH 4.5-6) 3.48 11.77 -51.17 3 9 1 109 514.606 11
Lo Low (pH 4.5-6) 3.48 12.03 -103.97 4 9 2 110 515.614 11

Activity (Go SEA)

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