UCSF

ZINC43699916

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 13 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) -1.59 3.86 -37.54 3 4 0 71 186.255 3
Mid Mid (pH 6-8) -1.59 2.47 -31.8 3 4 0 71 186.255 3
Mid Mid (pH 6-8) -1.59 4.24 -76.95 4 4 1 72 187.263 3

Activity (Go SEA)

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