UCSF

ZINC37851009

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.63 1.39 -44.46 3 5 1 59 287.424 9
Hi High (pH 8-9.5) 0.63 0 -5.77 2 5 0 54 286.416 9
Lo Low (pH 4.5-6) 0.63 3.66 -109.22 4 5 2 60 288.432 9

Activity (Go SEA)

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