UCSF

ZINC36170546

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 Yes

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) 2.37 4.85 -38.76 3 5 1 68 442.197 3
Mid Mid (pH 6-8) 2.37 2.46 -8.49 2 5 0 67 441.189 3

Activity (Go SEA)

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