UCSF

ZINC33286131

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 25 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) 5.62 6.15 -9.97 2 5 0 75 374.849 4
Ref Reference (pH 7) 5.62 5.84 -10.46 2 5 0 75 374.849 4
Hi High (pH 8-9.5) 5.62 6.61 -43.35 1 5 -1 78 373.841 4
Hi High (pH 8-9.5) 5.62 6.92 -43.04 1 5 -1 78 373.841 4

Activity (Go SEA)

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