UCSF

ZINC19513919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) 1.77 5.93 -105.23 5 3 2 56 221.348 6
Mid Mid (pH 6-8) -1.14 5.85 -28.72 5 3 1 56 220.34 6

Activity (Go SEA)

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