UCSF

ZINC20075929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 2.12 7.07 -44.23 3 3 1 45 224.287 2
Hi High (pH 8-9.5) 2.12 6.69 -6.75 2 3 0 44 223.279 2
Lo Low (pH 4.5-6) 2.12 7.51 -101.5 4 3 2 47 225.295 2

Activity (Go SEA)

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