UCSF

ZINC04542118

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 36 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) 6.96 1.77 -23.36 2 6 0 76 529.464 9

Activity (Go SEA)

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