UCSF

ZINC43407441

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.52 6.37 -26.41 4 5 1 76 275.376 2
Mid Mid (pH 6-8) 1.52 5.94 -7.15 3 5 0 75 274.368 2

Activity (Go SEA)

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