UCSF

ZINC34594388

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 3.45 12.77 -51.62 1 5 1 56 414.526 5
Hi High (pH 8-9.5) 3.45 10.52 -15.52 0 5 0 55 413.518 5
Hi High (pH 8-9.5) 3.45 10.92 -42.2 1 5 1 56 414.526 5
Mid Mid (pH 6-8) 3.45 13.17 -104.33 2 5 2 57 415.534 5

Activity (Go SEA)

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