UCSF

ZINC37786187

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) 2.58 4.26 -12.2 1 5 0 56 284.363 4
Lo Low (pH 4.5-6) 2.58 4.39 -36.88 2 5 1 57 285.371 4

Activity (Go SEA)

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