UCSF

ZINC21784729

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 5.61 9.39 -40.81 1 6 -1 87 454.959 6
Mid Mid (pH 6-8) 5.15 10.51 -13.67 2 6 0 84 455.967 6

Activity (Go SEA)

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