UCSF

ZINC35016815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 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) 2.87 7.97 -34.39 1 5 -1 66 351.423 7
Mid Mid (pH 6-8) 3.62 9.06 -12.29 2 5 0 60 352.431 8

Activity (Go SEA)

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