UCSF

ZINC04263226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 23 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) 4.06 8.96 -47.11 2 3 1 34 353.269 5
Mid Mid (pH 6-8) 4.06 6.64 -8.54 1 3 0 33 352.261 5

Activity (Go SEA)

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