UCSF

ZINC36161096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 0.44 1.97 -60.16 3 4 1 65 269.39 3
Lo Low (pH 4.5-6) 0.44 2.92 -144.62 4 4 2 66 270.398 3

Activity (Go SEA)

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