UCSF

ZINC39228942

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.54 8.93 -12.9 1 6 0 67 388.471 6
Lo Low (pH 4.5-6) 2.54 9.37 -43.47 2 6 1 69 389.479 6

Activity (Go SEA)

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