UCSF

ZINC20519625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 20 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) 2.39 5.29 -9.14 2 4 0 57 272.348 7
Lo Low (pH 4.5-6) 2.39 5.73 -37.66 3 4 1 59 273.356 7

Activity (Go SEA)

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