UCSF

ZINC22310499

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 33 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) 4.77 10.1 -51.23 0 6 -1 84 443.454 6
Lo Low (pH 4.5-6) 4.32 11.87 -12.01 1 6 0 81 444.462 6

Activity (Go SEA)

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