UCSF

ZINC20420008

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) -0.89 -1.26 -49.92 4 5 1 69 232.348 9
Hi High (pH 8-9.5) -0.89 0.66 -37.09 4 5 1 69 232.348 9
Mid Mid (pH 6-8) -0.89 1.03 -107.24 5 5 2 70 233.356 9

Activity (Go SEA)

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