UCSF

ZINC19855411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 31 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) 3.83 11.12 -21.87 1 6 0 55 413.525 6
Mid Mid (pH 6-8) 3.83 13.43 -60.68 2 6 1 56 414.533 6
Mid Mid (pH 6-8) 3.83 11.53 -35.17 2 6 1 56 414.533 6
Lo Low (pH 4.5-6) 3.83 13.84 -115.74 3 6 2 58 415.541 6

Activity (Go SEA)

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