UCSF

ZINC01235866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2005 24 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) 3.77 5.48 -44.05 1 5 -1 68 338.412 4
Lo Low (pH 4.5-6) 3.77 5.99 -16.99 2 5 0 65 339.42 4

Activity (Go SEA)

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