UCSF

ZINC55378789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 24 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) 2.63 8.32 -6.48 0 5 0 46 365.783 6
Mid Mid (pH 6-8) 2.63 10.17 -42.1 1 5 1 47 366.791 6

Activity (Go SEA)

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