UCSF

ZINC43252354

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 3.08 4.63 -42.86 3 2 1 31 273.853 6
Hi High (pH 8-9.5) 3.08 6.51 -32.17 3 2 1 30 273.853 6
Hi High (pH 8-9.5) 3.08 4.31 -1.32 2 2 0 29 272.845 6
Lo Low (pH 4.5-6) 3.08 6.83 -109.45 4 2 2 32 274.861 6

Activity (Go SEA)

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