UCSF

ZINC39025249

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 21 No

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) 3.51 9.73 -49.5 0 3 -1 57 291.411 4
Lo Low (pH 4.5-6) 3.51 7.95 -9.44 1 3 0 54 292.419 4

Activity (Go SEA)

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