UCSF

ZINC13116624

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 28 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) -2.35 -0.41 -17.69 0 10 0 100 394.428 5
Lo Low (pH 4.5-6) -2.35 1.81 -53.31 1 10 1 101 395.436 5
Lo Low (pH 4.5-6) -2.35 1.82 -53.5 1 10 1 101 395.436 5
Lo Low (pH 4.5-6) -2.35 2.06 -52.77 1 10 1 101 395.436 5

Activity (Go SEA)

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