UCSF

ZINC35016980

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 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) 3.06 8.36 -33.38 1 4 -1 57 359.805 5
Mid Mid (pH 6-8) 3.81 9.47 -11.41 2 4 0 50 360.813 6

Activity (Go SEA)

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