UCSF

ZINC13542766

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 23 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) 1.74 2.73 -13.73 4 8 0 119 339.421 6
Lo Low (pH 4.5-6) 1.74 2.98 -33.85 5 8 1 121 340.429 6
Lo Low (pH 4.5-6) 1.74 -1.44 -32.61 5 8 1 121 340.429 6

Activity (Go SEA)

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