UCSF

ZINC21869854

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 32 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) 4.31 9.84 -44.42 3 6 1 80 452.6 8
Hi High (pH 8-9.5) 4.38 5.67 -49.25 1 6 -1 84 450.584 8
Hi High (pH 8-9.5) 4.31 7.77 -45.31 1 6 -1 81 450.584 8
Mid Mid (pH 6-8) 4.38 8.41 -76.19 2 6 0 85 451.592 8
Mid Mid (pH 6-8) 4.31 7.76 -10.26 2 6 0 79 451.592 8
Mid Mid (pH 6-8) 4.31 9.84 -65.75 2 6 0 82 451.592 8

Activity (Go SEA)

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