UCSF

ZINC36159919

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 1.85 2.44 -61.37 3 4 1 65 317.519 4
Mid Mid (pH 6-8) 1.85 4.06 -142.03 4 4 2 66 318.527 4

Activity (Go SEA)

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