UCSF

ZINC20461365

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 34 No

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) 0.88 5.31 -57.16 0 9 -1 104 466.514 9
Mid Mid (pH 6-8) 0.88 7.64 -77 1 9 0 105 467.522 9

Activity (Go SEA)

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