UCSF

ZINC27524812

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 29 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) 2.32 8.92 -97.4 2 6 0 82 409.408 6
Lo Low (pH 4.5-6) -1.27 7.97 -68.59 3 6 1 85 410.416 5

Activity (Go SEA)

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