UCSF

ZINC25449416

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 3.77 10.91 -64.6 2 6 1 75 424.546 6
Hi High (pH 8-9.5) 3.77 8.69 -27.54 1 6 0 74 423.538 6
Hi High (pH 8-9.5) 3.77 9.49 -60.01 0 6 -1 77 422.53 6

Activity (Go SEA)

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