UCSF

ZINC60703966

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 16 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) 3.65 8.61 -38.92 2 1 1 17 240.798 5
Hi High (pH 8-9.5) 3.65 7.8 -1.67 1 1 0 12 239.79 5

Activity (Go SEA)

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