UCSF

ZINC43968681

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 1.39 3.62 -34.8 2 5 1 48 287.424 7
Hi High (pH 8-9.5) 1.39 4.79 -32.48 2 5 1 44 287.424 7
Mid Mid (pH 6-8) 1.39 2.88 -2.86 1 5 0 43 286.416 7

Activity (Go SEA)

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