UCSF

ZINC39023692

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 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) 2.46 5.37 -51.48 2 5 -1 89 278.328 9
Lo Low (pH 4.5-6) 2.46 3.39 -13.9 3 5 0 87 279.336 9

Activity (Go SEA)

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