UCSF

ZINC21881822

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 33 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) 2.38 9.8 -27.06 2 8 0 106 444.491 8
Hi High (pH 8-9.5) 3.28 8.75 -55.84 1 8 -1 109 443.483 8

Activity (Go SEA)

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