UCSF

ZINC35016899

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 25 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) 2.73 8.06 -33.16 1 4 -1 57 379.33 5
Mid Mid (pH 6-8) 3.48 9.16 -10.68 2 4 0 50 380.338 6

Activity (Go SEA)

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