UCSF

ZINC03929426

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 34 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) 5.97 -0.46 -44.75 3 3 1 44 458.666 9

Activity (Go SEA)

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