UCSF

ZINC04297076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 22 Yes

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) 2.29 -8.95 -14.83 3 6 0 106 340.426 5
Hi High (pH 8-9.5) 2.29 -8.37 -45.56 2 6 -1 108 339.418 5

Activity (Go SEA)

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