UCSF

ZINC20285043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 28 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) 1.54 6.71 -54.73 1 7 -1 107 421.882 7
Lo Low (pH 4.5-6) 1.54 5.59 -18.37 2 7 0 104 422.89 7

Activity (Go SEA)

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