UCSF

ZINC26459497

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 15 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) 1.63 4.45 -19.75 1 5 0 68 270.086 3
Hi High (pH 8-9.5) 1.63 4.05 -41.59 0 5 -1 66 269.078 3
Mid Mid (pH 6-8) 1.63 4.54 -12.74 1 5 0 68 270.086 3

Activity (Go SEA)

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