UCSF

ZINC19959747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 1.77 7.72 -114.73 3 3 2 34 224.348 5
Mid Mid (pH 6-8) 1.77 5.54 -36.94 2 3 1 33 223.34 5
Mid Mid (pH 6-8) 1.77 6.59 -30.2 2 3 1 30 223.34 5

Activity (Go SEA)

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