UCSF

ZINC26020653

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 17 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) -0.40 1.51 -45.62 5 8 1 131 240.243 5
Lo Low (pH 4.5-6) -1.35 1.15 -148.4 7 8 2 135 241.251 4

Activity (Go SEA)

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