UCSF

ZINC68604341

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2011 26 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) 2.24 5.01 -89.59 2 5 2 25 364.578 3
Hi High (pH 8-9.5) 2.24 1.73 -34.91 1 5 1 23 363.57 3
Lo Low (pH 4.5-6) 2.24 6.19 -90.37 2 5 2 25 364.578 3
Lo Low (pH 4.5-6) 2.24 9.2 -197.65 3 5 3 26 365.586 3

Activity (Go SEA)

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