UCSF

ZINC37843257

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.24 1.09 -15.48 3 5 0 89 290.772 6
Mid Mid (pH 6-8) 1.24 1.16 -40.39 2 5 -1 91 289.764 6

Activity (Go SEA)

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