UCSF

ZINC20057729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 26 No

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) 2.32 8.07 -68.61 1 6 0 78 374.462 8
Hi High (pH 8-9.5) 2.32 5.77 -58.33 0 6 -1 77 373.454 8
Lo Low (pH 4.5-6) 2.32 7.25 -47.44 2 6 1 75 375.47 8

Activity (Go SEA)

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