UCSF

ZINC20126734

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) 2.23 5.49 -127.59 4 4 2 51 331.254 6
Hi High (pH 8-9.5) 2.23 4.92 -65.41 2 4 0 49 329.238 6
Hi High (pH 8-9.5) 2.23 3.96 -62.32 2 4 0 52 329.238 6
Mid Mid (pH 6-8) 2.23 4.14 -39.18 3 4 1 46 330.246 6

Activity (Go SEA)

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