UCSF

ZINC35511792

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 26 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) 2.57 8.7 -13.7 1 6 0 67 352.438 4
Mid Mid (pH 6-8) 2.57 9.07 -40.96 2 6 1 69 353.446 4

Activity (Go SEA)

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