UCSF

ZINC22926517

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 2.69 3.97 -52.75 3 5 1 59 335.468 6
Hi High (pH 8-9.5) 2.69 4.91 -60.71 2 5 0 61 334.46 6

Activity (Go SEA)

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