UCSF

ZINC02213024

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 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) 3.16 5.49 -13.62 2 6 0 77 325.368 6
Lo Low (pH 4.5-6) 3.16 5.83 -26.26 3 6 1 78 326.376 6

Activity (Go SEA)

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