UCSF

ZINC26329201

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 23 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) 2.10 9.29 -54.91 2 5 1 70 329.449 5
Mid Mid (pH 6-8) 2.29 8.22 -42.9 1 5 0 77 328.441 5

Activity (Go SEA)

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