UCSF

ZINC05198740

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 24 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) 3.48 8.78 -19.05 0 4 0 48 321.376 5
Lo Low (pH 4.5-6) 3.48 9.13 -28.37 1 4 1 50 322.384 5

Activity (Go SEA)

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