UCSF

ZINC38212806

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 16 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) 0.62 4.55 -38.31 3 4 1 59 216.264 3
Mid Mid (pH 6-8) 0.62 3.76 -9.94 2 4 0 58 215.256 3
Mid Mid (pH 6-8) 0.62 3.79 -12.42 2 4 0 58 215.256 3
Mid Mid (pH 6-8) 0.62 4.57 -38.33 3 4 1 59 216.264 3

Activity (Go SEA)

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