UCSF

ZINC18163877

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 25 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) 2.15 6.78 -20.59 2 6 0 84 335.363 5
Hi High (pH 8-9.5) 3.06 5.38 -53.02 1 6 -1 90 334.355 5
Hi High (pH 8-9.5) 3.06 5.16 -81.15 1 6 -1 90 334.355 5
Hi High (pH 8-9.5) 3.06 4.05 -58.49 1 6 -1 90 334.355 5

Activity (Go SEA)

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