UCSF

ZINC37824020

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.79 5.46 -79.13 3 5 2 45 298.475 5
Hi High (pH 8-9.5) 0.79 4.23 -41.23 2 5 1 40 297.467 5
Lo Low (pH 4.5-6) 0.79 7.77 -162.1 4 5 3 46 299.483 5
Lo Low (pH 4.5-6) 0.79 5.36 -87.48 3 5 2 45 298.475 5

Activity (Go SEA)

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