UCSF

ZINC43262315

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 3.30 7.7 -89.76 4 3 2 35 376.408 6
Hi High (pH 8-9.5) 3.30 9.14 -94.66 4 3 2 35 376.408 6
Hi High (pH 8-9.5) 3.30 7.37 -34.91 3 3 1 34 375.4 6
Lo Low (pH 4.5-6) 3.30 9.47 -194.2 5 3 3 37 377.416 6

Activity (Go SEA)

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