UCSF

ZINC71407667

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 20 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) 2.68 5.97 -41.97 3 3 1 46 270.352 3
Mid Mid (pH 6-8) 2.68 4.64 -6.81 2 3 0 41 269.344 3

Activity (Go SEA)

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