UCSF

ZINC22061296

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 33 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) 1.41 10.19 -108.82 1 9 -2 133 449.511 10
Lo Low (pH 4.5-6) 1.41 9.36 -58.34 2 9 -1 135 450.519 10

Activity (Go SEA)

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