UCSF

ZINC16688860

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 34 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) 4.37 11.61 -14.99 0 8 0 92 479.558 8
Lo Low (pH 4.5-6) 4.37 12.09 -45.82 1 8 1 93 480.566 8

Activity (Go SEA)

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