UCSF

ZINC01139728

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 33 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) 4.48 6.9 -47.03 1 7 -1 104 482.299 5
Hi High (pH 8-9.5) 4.48 7.68 -100.55 0 7 -2 107 481.291 5

Activity (Go SEA)

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