UCSF

ZINC04267285

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 25 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) 3.41 7.29 -9.73 1 6 0 66 335.363 5
Mid Mid (pH 6-8) 3.41 7.66 -37.68 2 6 1 67 336.371 5

Activity (Go SEA)

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