UCSF

ZINC20119930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 28 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) 2.17 8.88 -72 1 7 0 91 386.448 9
Mid Mid (pH 6-8) 2.17 8.06 -44.69 2 7 1 88 387.456 9

Activity (Go SEA)

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