UCSF

ZINC21293999

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 30 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) 2.51 7.46 -26.61 2 7 0 101 446.529 8
Hi High (pH 8-9.5) 2.70 6.4 -48.25 1 7 -1 107 445.521 8

Activity (Go SEA)

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