UCSF

ZINC43402388

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.41 1.62 -45.38 3 7 1 106 287.299 3
Hi High (pH 8-9.5) 1.41 1.35 -11.38 2 7 0 104 286.291 3

Activity (Go SEA)

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