UCSF

ZINC22107403

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 29 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) 3.94 7.32 -45.2 0 6 -1 84 405.817 3
Lo Low (pH 4.5-6) 3.48 9.09 -10.77 1 6 0 81 406.825 3

Activity (Go SEA)

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