UCSF

ZINC39276032

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 1.09 9.36 -61.11 0 4 -1 62 282.678 3
Lo Low (pH 4.5-6) 1.09 7.37 -13.73 1 4 0 59 283.686 3

Activity (Go SEA)

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