UCSF

ZINC05178922

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 9 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) -2.42 -1.67 -40.99 1 4 -1 69 148.163 3
Hi High (pH 8-9.5) -2.42 -2.63 -107.27 1 4 -2 69 147.155 3

Activity (Go SEA)

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