UCSF

ZINC33764609

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 No

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) 3.09 9.5 -61.07 0 8 -1 97 466.51 12
Lo Low (pH 4.5-6) 3.09 8.2 -22.72 1 8 0 95 467.518 12

Activity (Go SEA)

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