UCSF

ZINC19486673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 0.79 4.6 -59.6 2 5 1 67 259.285 1
Mid Mid (pH 6-8) 0.79 3.23 -11.77 1 5 0 63 258.277 1

Activity (Go SEA)

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