UCSF

ZINC04266219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 28 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) 4.77 11.56 -12.29 1 5 0 71 366.424 5
Lo Low (pH 4.5-6) 4.77 11.89 -32.26 2 5 1 72 367.432 5

Activity (Go SEA)

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