UCSF

ZINC20126691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 1.09 1 -14.47 3 5 0 85 277.349 4
Lo Low (pH 4.5-6) 1.09 1.38 -44.93 4 5 1 86 278.357 4

Activity (Go SEA)

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