UCSF

ZINC05551196

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 22 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) 5.12 8.33 -36.51 0 3 -1 44 376.23 3
Hi High (pH 8-9.5) 6.07 6.41 -41.11 0 3 -1 48 376.23 2

Activity (Go SEA)

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