UCSF

ZINC20558575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 6.07 11.25 -53.02 2 1 1 17 347.668 4
Mid Mid (pH 6-8) 6.07 10.14 -6.19 1 1 0 12 346.66 4

Activity (Go SEA)

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