UCSF

ZINC26478725

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 19 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 2.64 -44.4 0 5 -1 74 320.177 3
Lo Low (pH 4.5-6) 3.19 3.46 -10.27 1 5 0 72 321.185 3

Activity (Go SEA)

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