UCSF

ZINC37055385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.57 2.87 -8.57 2 5 0 67 441.189 4
Mid Mid (pH 6-8) 2.57 5.09 -41.24 3 5 1 68 442.197 4

Activity (Go SEA)

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