UCSF

ZINC04587687

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 28 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) 3.69 -2.66 -11.38 0 5 0 49 396.491 4

Activity (Go SEA)

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