UCSF

ZINC33814100

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 2.22 10.92 -78.97 2 9 0 112 478.549 9
Lo Low (pH 4.5-6) 2.22 9.61 -60.27 3 9 1 109 479.557 9

Activity (Go SEA)

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