UCSF

ZINC43063324

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 19 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) 2.38 8.07 -54.32 1 5 -1 72 281.357 4
Lo Low (pH 4.5-6) 2.38 5.98 -11.09 2 5 0 70 282.365 4

Activity (Go SEA)

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