UCSF

ZINC00581865

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 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) 2.94 2.5 -10.92 1 6 0 81 346.799 5
Lo Low (pH 4.5-6) 2.94 2.79 -42.08 2 6 1 82 347.807 5

Activity (Go SEA)

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