UCSF

ZINC16688907

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 24 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) 3.86 10.94 -7.59 1 4 0 54 337.448 5
Hi High (pH 8-9.5) 4.39 9.81 -44.08 0 4 -1 56 336.44 6
Lo Low (pH 4.5-6) 4.39 11.03 -33.33 2 4 1 55 338.456 6

Activity (Go SEA)

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