UCSF

ZINC25455274

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.92 10.13 -27.78 1 6 0 69 486.189 5
Hi High (pH 8-9.5) 4.10 9.05 -46.09 0 6 -1 75 485.181 5

Activity (Go SEA)

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