UCSF

ZINC49765281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.29 9.46 -9.58 0 3 0 33 314.816 2
Lo Low (pH 4.5-6) 3.29 9.92 -31.95 1 3 1 34 315.824 2

Activity (Go SEA)

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