UCSF

ZINC43232189

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) -0.72 -0.88 -44.07 5 6 1 92 254.358 8
Hi High (pH 8-9.5) -0.72 1.14 -34.18 5 6 1 91 254.358 8
Lo Low (pH 4.5-6) -0.72 0.84 -116.38 6 6 2 93 255.366 8

Activity (Go SEA)

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