UCSF

ZINC52851261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) 3.38 10.03 -12.22 0 4 0 33 326.44 7
Lo Low (pH 4.5-6) 3.38 10.8 -26.09 1 4 0 34 327.448 7

Activity (Go SEA)

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