UCSF

ZINC20228834

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 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) 3.23 9.37 -72.37 1 6 0 74 459.34 7
Hi High (pH 8-9.5) 3.23 6.84 -57.55 0 6 -1 73 458.332 7
Lo Low (pH 4.5-6) 3.23 8.54 -52.7 2 6 1 71 460.348 7

Activity (Go SEA)

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