UCSF

ZINC48374149

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 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) 1.70 6.83 -35.41 1 5 1 49 278.328 4
Hi High (pH 8-9.5) 1.70 4.71 -8.45 0 5 0 48 277.32 4

Activity (Go SEA)

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