UCSF

ZINC01274828

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 26 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) 3.51 8.4 -22.36 1 6 0 73 389.864 6
Hi High (pH 8-9.5) 3.58 7.46 -54.79 0 6 -1 80 388.856 6

Activity (Go SEA)

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