UCSF

ZINC44650626

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) -1.19 2.79 -51.41 2 6 1 73 269.369 8
Mid Mid (pH 6-8) -1.19 5.06 -107.19 3 6 2 74 270.377 8

Activity (Go SEA)

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