UCSF

ZINC21800147

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 2.45 5.95 -23.55 1 7 0 69 394.475 7
Mid Mid (pH 6-8) 2.45 6.36 -35.27 2 7 1 70 395.483 7
Mid Mid (pH 6-8) 2.45 8.26 -62.72 2 7 1 70 395.483 7
Lo Low (pH 4.5-6) 2.45 8.67 -116.05 3 7 2 71 396.491 7

Activity (Go SEA)

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