UCSF

ZINC22340097

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 25 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) 4.33 10.59 -8.77 0 3 0 24 340.442 5
Lo Low (pH 4.5-6) 4.33 12.33 -48.42 1 3 1 25 341.45 5

Activity (Go SEA)

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