UCSF

ZINC16677857

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 23 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) 3.27 6.09 -15.7 2 6 0 84 309.325 3
Ref Reference (pH 7) 3.27 5.92 -22.46 2 6 0 84 309.325 3
Hi High (pH 8-9.5) 3.27 6.93 -68.75 1 6 -1 87 308.317 3
Hi High (pH 8-9.5) 3.27 7.1 -63.13 1 6 -1 87 308.317 3

Activity (Go SEA)

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