UCSF

ZINC53148812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 1.37 5.58 -45.42 1 4 -1 69 258.656 5
Lo Low (pH 4.5-6) 1.37 3.6 -9.74 2 4 0 66 259.664 5

Activity (Go SEA)

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