UCSF

ZINC35698211

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 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) 3.14 9.27 -12.38 1 3 0 38 324.377 1
Hi High (pH 8-9.5) 3.60 8.1 -41.07 0 3 -1 41 323.369 1

Activity (Go SEA)

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