UCSF

ZINC12483339

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 24 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) 4.84 7.28 -12.74 2 5 0 71 456.134 5
Hi High (pH 8-9.5) 4.84 8.41 -62.52 1 5 -1 74 455.126 5
Hi High (pH 8-9.5) 4.84 8.05 -43.83 1 5 -1 74 455.126 5

Activity (Go SEA)

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