UCSF

ZINC37121385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.61 2.66 -11.54 4 4 0 75 345.613 4
Mid Mid (pH 6-8) 3.61 3.41 -37.83 3 4 -1 78 344.605 4

Activity (Go SEA)

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