UCSF

ZINC35016680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 3.91 10.88 -11.37 2 5 0 60 402.541 9
Mid Mid (pH 6-8) 3.16 9.76 -36.28 1 5 -1 66 401.533 8

Activity (Go SEA)

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