UCSF

ZINC16805397

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 24 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) 6.17 11.66 -6.32 0 2 0 37 370.827 6
Lo Low (pH 4.5-6) 6.17 11.83 -39.09 1 2 1 38 371.835 6

Activity (Go SEA)

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