UCSF

ZINC34957150

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 1.33 5.05 -62.39 3 5 1 66 299.778 5
Hi High (pH 8-9.5) 1.33 4.65 -13.62 2 5 0 65 298.77 5

Activity (Go SEA)

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