UCSF

ZINC40302688

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 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) 2.09 4.14 -8.08 2 3 0 46 224.329 2
Lo Low (pH 4.5-6) 2.09 4.02 -33.54 3 3 1 48 225.337 2

Activity (Go SEA)

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