UCSF

ZINC04888873

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 23 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) 2.12 7.77 -53.33 0 7 -1 106 317.321 6
Lo Low (pH 4.5-6) 2.12 6.83 -11.06 1 7 0 103 318.329 6

Activity (Go SEA)

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