UCSF

ZINC12636526

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 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) 6.95 12.72 -7.05 0 2 0 22 359.856 4
Lo Low (pH 4.5-6) 6.95 12.93 -28.92 1 2 1 23 360.864 4

Activity (Go SEA)

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