UCSF

ZINC22872481

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 29 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) 1.70 6.61 -85.83 2 6 0 80 391.471 6
Lo Low (pH 4.5-6) 1.70 5.85 -50.47 3 6 1 77 392.479 6

Activity (Go SEA)

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