UCSF

ZINC05925281

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 26 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) 4.11 4.6 -11.32 1 6 0 71 388.88 6
Lo Low (pH 4.5-6) 4.11 5.36 -76.83 2 6 0 72 389.888 6

Activity (Go SEA)

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