UCSF

ZINC20442226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 0.78 3.83 -110.43 4 3 2 35 225.38 2
Hi High (pH 8-9.5) 0.78 1.42 -43.58 3 3 1 34 224.372 2
Mid Mid (pH 6-8) 0.78 5.5 -94.24 4 3 2 35 225.38 2
Mid Mid (pH 6-8) 0.78 3.77 -33.48 3 3 1 34 224.372 2
Mid Mid (pH 6-8) 0.78 3.24 -109.92 4 3 2 35 225.38 2
Lo Low (pH 4.5-6) 0.78 5.67 -214.88 5 3 3 37 226.388 2

Activity (Go SEA)

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