UCSF

ZINC21784999

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 5.07 8.63 -40.8 1 5 -1 78 432.859 4
Mid Mid (pH 6-8) 4.61 9.75 -13.63 2 5 0 75 433.867 4

Activity (Go SEA)

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