UCSF

ZINC19142506

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2008 19 No

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) -0.64 5.93 -57.96 1 6 -1 87 258.257 4
Mid Mid (pH 6-8) 0.08 4.43 -59.25 1 6 0 87 259.265 4

Activity (Go SEA)

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