UCSF

ZINC35062073

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 5.79 11.4 -6.23 1 3 0 37 359.926 3
Lo Low (pH 4.5-6) 5.79 11.74 -26.97 2 3 1 39 360.934 3
Lo Low (pH 4.5-6) 5.79 11.74 -27.11 2 3 1 39 360.934 3

Activity (Go SEA)

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