UCSF

ZINC12620857

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 23 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) 0.74 -1.07 -16.66 3 7 0 102 341.433 4
Lo Low (pH 4.5-6) 0.74 1.21 -49.07 4 7 1 103 342.441 4

Activity (Go SEA)

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