UCSF

ZINC01352779

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 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) 3.72 7.99 -23.97 2 5 0 71 331.803 5
Lo Low (pH 4.5-6) 3.72 7.77 -33.78 3 5 1 72 332.811 5

Activity (Go SEA)

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