UCSF

ZINC05678526

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 23 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) 5.87 6.67 -8.2 2 4 0 65 365.241 2
Hi High (pH 8-9.5) 5.38 6.95 -93.99 0 4 -2 67 363.225 3
Hi High (pH 8-9.5) 5.87 7.44 -38.42 1 4 -1 68 364.233 2

Activity (Go SEA)

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