UCSF

ZINC09380020

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 35 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) 5.75 -3.65 -11.78 3 6 0 86 479.561 5
Lo Low (pH 4.5-6) 5.75 -3.54 -32.46 4 6 1 87 480.569 5

Activity (Go SEA)

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