UCSF

ZINC16730400

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 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) 4.64 11.33 -16.44 1 8 0 106 522.554 9
Mid Mid (pH 6-8) 4.06 12.02 -20.46 0 8 0 103 522.554 9

Activity (Go SEA)

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