UCSF

ZINC20073797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 0.50 5.91 -33.66 3 3 1 34 262.421 6
Hi High (pH 8-9.5) 0.50 3.96 -48.03 3 3 1 34 262.421 6
Mid Mid (pH 6-8) 0.50 6.29 -122.98 4 3 2 35 263.429 6

Activity (Go SEA)

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