UCSF

ZINC37248636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.22 4.07 -40.44 3 4 1 46 330.246 4
Hi High (pH 8-9.5) 2.22 4.99 -68.12 2 4 0 49 329.238 4
Hi High (pH 8-9.5) 2.22 3.8 -60.99 2 4 0 52 329.238 4
Mid Mid (pH 6-8) 2.22 2.88 -48.55 3 4 1 49 330.246 4

Activity (Go SEA)

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