UCSF

ZINC20159052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 26 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) 5.33 12.72 -4.52 0 2 0 12 345.486 9
Mid Mid (pH 6-8) 5.33 15 -34.69 1 2 1 14 346.494 9

Activity (Go SEA)

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