UCSF

ZINC57827815

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 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) 3.73 11.87 -14.45 0 6 0 62 393.535 5
Lo Low (pH 4.5-6) 3.73 12.21 -41.07 1 6 1 63 394.543 5

Activity (Go SEA)

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