UCSF

ZINC05754738

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 28 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) 4.17 10.84 -18.33 1 6 0 89 378.428 6
Hi High (pH 8-9.5) 4.63 8.69 -58.42 0 6 -1 92 377.42 6

Activity (Go SEA)

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