UCSF

ZINC43916573

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 2.37 4.66 -42.33 2 3 1 29 249.378 4
Hi High (pH 8-9.5) 2.37 3.4 -2.25 1 3 0 24 248.37 4
Lo Low (pH 4.5-6) 2.37 6.59 -111.11 3 3 2 30 250.386 4

Activity (Go SEA)

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