UCSF

ZINC20163931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 23 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) 5.07 9.44 -39.54 0 3 -1 44 323.372 4
Mid Mid (pH 6-8) 5.07 9.87 -17.71 1 3 0 42 324.38 4

Activity (Go SEA)

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