UCSF

ZINC21149885

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 31 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) 4.33 14.11 -7.49 1 5 0 56 451.617 2
Hi High (pH 8-9.5) 4.85 13.49 -38.72 0 5 -1 62 450.609 3
Mid Mid (pH 6-8) 4.67 12.53 -34.81 1 5 0 62 451.617 3
Lo Low (pH 4.5-6) 4.33 12.46 -33.09 1 5 1 56 452.625 2

Activity (Go SEA)

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