UCSF

ZINC25453548

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 4.93 10.6 -18.75 1 6 0 77 428.533 6
Hi High (pH 8-9.5) 4.93 10.68 -42.83 0 6 -1 79 427.525 6

Activity (Go SEA)

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