UCSF

ZINC26940618

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 26 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) 4.85 12.15 -56.07 1 4 -1 69 352.454 10
Lo Low (pH 4.5-6) 4.85 11.03 -17.68 2 4 0 66 353.462 10

Activity (Go SEA)

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