UCSF

ZINC22051225

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 36 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) 5.63 13.28 -58.72 3 5 1 65 482.6 9
Mid Mid (pH 6-8) 5.63 11.96 -14.91 2 5 0 60 481.592 9

Activity (Go SEA)

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