UCSF

ZINC35286106

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 16 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) 3.19 6.71 -34.84 2 2 1 16 259.826 5
Hi High (pH 8-9.5) 3.19 4.37 -1.63 1 2 0 15 258.818 5
Lo Low (pH 4.5-6) 3.19 7.93 -116.77 3 2 2 21 260.834 5

Activity (Go SEA)

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