UCSF

ZINC19855337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 33 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) 5.26 12.22 -20.09 1 6 0 59 460.965 5
Mid Mid (pH 6-8) 5.26 12.6 -41.46 2 6 1 61 461.973 5

Activity (Go SEA)

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