UCSF

ZINC10528857

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 31 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) 5.91 0.96 -11.9 0 4 0 46 447.629 6
Lo Low (pH 4.5-6) 5.91 1.07 -44.11 1 4 1 47 448.637 6

Activity (Go SEA)

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