UCSF

ZINC21813761

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.26 7.02 -32.51 2 3 1 29 297.507 5
Lo Low (pH 4.5-6) 4.26 8.89 -111.5 3 3 2 30 298.515 5

Activity (Go SEA)

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