UCSF

ZINC43699922

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 11 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) -2.33 2.6 -38.73 3 4 0 71 160.217 4
Mid Mid (pH 6-8) -2.33 1.03 -32.74 3 4 0 71 160.217 4
Mid Mid (pH 6-8) -2.33 2.97 -78.34 4 4 1 72 161.225 4

Activity (Go SEA)

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