UCSF

ZINC42912667

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.05 5.97 -114.8 4 2 2 32 226.339 5
Mid Mid (pH 6-8) 2.05 4.66 -44.07 3 2 1 31 225.331 5
Mid Mid (pH 6-8) 2.05 5.73 -33.08 3 2 1 30 225.331 5

Activity (Go SEA)

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