UCSF

ZINC05522544

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 25 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) 3.27 8 -15.34 2 8 0 125 356.363 6
Hi High (pH 8-9.5) 3.27 7.86 -41.55 1 8 -1 123 355.355 6

Activity (Go SEA)

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