UCSF

ZINC33581223

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 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) 2.07 9.76 -36.07 0 11 -1 158 479.45 7
Lo Low (pH 4.5-6) 2.07 8.63 -25.38 1 11 0 156 480.458 7

Activity (Go SEA)

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