UCSF

ZINC03532452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 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) 3.96 8.38 -9.42 1 4 0 43 326.421 6
Lo Low (pH 4.5-6) 3.96 8.43 -27.96 2 4 1 45 327.429 6

Activity (Go SEA)

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