UCSF

ZINC37789405

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 No

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) 2.34 6.11 -9.91 1 5 0 53 295.77 4
Lo Low (pH 4.5-6) 2.34 6.29 -37.03 2 5 1 54 296.778 4

Activity (Go SEA)

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