UCSF

ZINC44651721

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 13 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) 2.32 5.49 -115.59 4 2 2 33 186.343 6
Mid Mid (pH 6-8) 2.32 4.13 -35.63 3 2 1 29 185.335 6

Activity (Go SEA)

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