UCSF

ZINC42449744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.67 4.96 -115.25 4 3 2 45 210.321 3
Hi High (pH 8-9.5) 0.67 2.54 -3.25 2 3 0 42 208.305 3
Mid Mid (pH 6-8) 0.67 2.67 -43.94 3 3 1 44 209.313 3
Mid Mid (pH 6-8) 0.67 4.82 -33.19 3 3 1 44 209.313 3

Activity (Go SEA)

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