UCSF

ZINC05370065

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 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) 2.96 4.92 -21.43 2 6 0 80 314.341 6
Hi High (pH 8-9.5) 2.96 5.7 -69.53 1 6 -1 83 313.333 6

Activity (Go SEA)

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