UCSF

ZINC31997309

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 3.27 6.63 -52.32 0 4 -1 53 296.346 4
Lo Low (pH 4.5-6) 3.27 8.98 -81.61 1 4 0 54 297.354 4

Activity (Go SEA)

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