UCSF

ZINC35254559

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 4.79 8.27 -5.34 1 3 0 34 417.141 7
Mid Mid (pH 6-8) 4.79 9.44 -44.25 2 3 1 39 418.149 7

Activity (Go SEA)

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