UCSF

ZINC27988024

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 31 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) 2.83 7.38 -68.74 1 8 -1 116 419.413 6
Lo Low (pH 4.5-6) 2.83 6.56 -23.19 2 8 0 113 420.421 6

Activity (Go SEA)

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