UCSF

ZINC37840957

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.24 0.77 -13.99 1 8 0 96 316.383 5
Lo Low (pH 4.5-6) -0.24 2.91 -51.87 2 8 1 97 317.391 5

Activity (Go SEA)

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