UCSF

ZINC21619925

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 3.73 9.59 -10.34 2 4 0 48 347.462 6
Lo Low (pH 4.5-6) 3.73 10.34 -22.04 3 4 0 49 348.47 6

Activity (Go SEA)

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