UCSF

ZINC06740810

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 28 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) 2.20 7.76 -46.89 1 6 -1 90 397.838 6
Mid Mid (pH 6-8) 2.65 5.9 -34.77 2 6 0 87 398.846 5

Activity (Go SEA)

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