UCSF

ZINC05200010

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 27 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) 3.75 9.27 -12.26 1 6 0 70 395.569 9
Lo Low (pH 4.5-6) 3.75 8.61 -50.94 2 6 1 71 396.577 9

Activity (Go SEA)

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