UCSF

ZINC41202778

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 Yes

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) 5.36 10.68 -38.64 2 1 1 17 294.871 5
Hi High (pH 8-9.5) 5.36 9.73 -2.59 1 1 0 12 293.863 5

Activity (Go SEA)

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