UCSF

ZINC39499942

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 25 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) 1.83 4.35 -38.63 2 5 1 44 350.527 6
Hi High (pH 8-9.5) 1.83 4.3 -35.34 2 5 1 44 350.527 6
Mid Mid (pH 6-8) 1.83 6.57 -86.69 3 5 2 45 351.535 6

Activity (Go SEA)

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