UCSF

ZINC44723825

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 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) 2.09 5.66 -37.51 2 4 1 52 218.317 10
Mid Mid (pH 6-8) 2.09 4.43 -6.47 1 4 0 48 217.309 10

Activity (Go SEA)

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