UCSF

ZINC21645678

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 34 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) 2.83 12.65 -58.36 2 8 1 77 463.606 7
Hi High (pH 8-9.5) 2.83 10.33 -23.79 1 8 0 75 462.598 7

Activity (Go SEA)

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