UCSF

ZINC37817647

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.87 7.49 -6.51 1 3 0 32 284.403 4
Lo Low (pH 4.5-6) 2.87 8.79 -38.39 2 3 1 37 285.411 4

Activity (Go SEA)

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