UCSF

ZINC37857373

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 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) 3.22 6.49 -41.43 2 7 1 77 443.907 3
Hi High (pH 8-9.5) 3.22 4.89 -43.28 0 7 -1 78 441.891 3
Mid Mid (pH 6-8) 3.22 6.37 -42.43 2 7 1 77 443.907 3
Mid Mid (pH 6-8) 3.22 4.13 -9.42 1 7 0 75 442.899 3

Activity (Go SEA)

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