UCSF

ZINC26895125

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 27 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) 4.34 9.6 -16.66 1 5 0 72 397.839 3
Hi High (pH 8-9.5) 4.34 10.39 -61.09 0 5 -1 75 396.831 3

Activity (Go SEA)

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