UCSF

ZINC43699914

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) -1.86 3.88 -37.22 3 4 0 71 186.255 3
Hi High (pH 8-9.5) -1.86 1.97 -43.57 2 4 -1 69 185.247 3
Mid Mid (pH 6-8) -1.86 4.27 -79.57 4 4 1 72 187.263 3

Activity (Go SEA)

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