UCSF

ZINC22060226

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 13 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) 2.76 8.31 -51.4 0 2 -1 40 219.351 6
Lo Low (pH 4.5-6) 2.76 7.19 -12.77 1 2 0 37 220.359 6

Activity (Go SEA)

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