UCSF

ZINC22611738

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 24 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) 2.61 5.28 -11.69 1 7 0 87 335.404 7
Mid Mid (pH 6-8) 2.61 7.59 -56.55 2 7 1 89 336.412 7

Activity (Go SEA)

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