UCSF

ZINC01864265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 25 No

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) 4.67 6.66 -39.56 1 5 -1 74 418.292 5
Hi High (pH 8-9.5) 5.62 5 -40.5 1 5 -1 78 418.292 4
Hi High (pH 8-9.5) 5.62 5.68 -39.33 1 5 -1 78 418.292 4
Mid Mid (pH 6-8) 4.68 7.15 -23.24 2 5 0 71 419.3 5

Activity (Go SEA)

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