UCSF

ZINC25173024

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 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) 3.45 6.64 -32.9 3 8 0 109 426.498 6
Hi High (pH 8-9.5) 3.52 5.74 -69.92 2 8 -1 116 425.49 6

Activity (Go SEA)

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