UCSF

ZINC21289536

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 1.73 5.57 -26.02 2 6 0 84 354.382 7
Hi High (pH 8-9.5) 1.92 4.5 -48.63 1 6 -1 90 353.374 7

Activity (Go SEA)

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