UCSF

ZINC05854684

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 30 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) 6.96 9.56 -57.32 2 5 -1 90 405.47 5
Hi High (pH 8-9.5) 6.96 10.33 -113.61 1 5 -2 93 404.462 5
Hi High (pH 8-9.5) 6.96 8.9 -19.04 1 5 0 93 404.462 5
Mid Mid (pH 6-8) 5.77 10.65 -21.22 2 5 0 84 406.478 6

Activity (Go SEA)

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