UCSF

ZINC25463885

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 22 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) 2.39 1.26 -59.35 1 7 -1 103 330.374 3
Ref Reference (pH 7) 2.39 1.26 -50.75 1 7 -1 103 330.374 3
Lo Low (pH 4.5-6) 2.39 1.19 -19.65 2 7 0 101 331.382 3
Lo Low (pH 4.5-6) 2.39 1.23 -13.37 2 7 0 101 331.382 3

Activity (Go SEA)

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