UCSF

ZINC05549341

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 28 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) 3.54 9.13 -15.24 1 8 0 106 399.428 6
Hi High (pH 8-9.5) 3.60 7.11 -37.76 0 8 -1 113 398.42 6

Activity (Go SEA)

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