UCSF

ZINC35387007

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) -1.42 2.5 -42.71 2 7 0 109 248.242 5
Hi High (pH 8-9.5) -1.42 1.27 -54.13 1 7 -1 104 247.234 5
Lo Low (pH 4.5-6) -1.42 3.01 -74.23 3 7 1 110 249.25 5

Activity (Go SEA)

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