UCSF

ZINC22107409

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 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) 2.81 4.41 -44.43 0 7 -1 93 385.783 4
Lo Low (pH 4.5-6) 2.35 6.19 -9.79 1 7 0 90 386.791 4

Activity (Go SEA)

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