UCSF

ZINC37266767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) -1.58 3.18 -9.41 2 4 0 56 248.326 3
Mid Mid (pH 6-8) -1.58 3.53 -45.58 3 4 1 57 249.334 3

Activity (Go SEA)

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