UCSF

ZINC03278290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 5.17 5.8 -16.24 2 4 0 65 435.257 5
Lo Low (pH 4.5-6) 5.17 6.85 -30.83 3 4 1 67 436.265 5
Lo Low (pH 4.5-6) 5.17 6.79 -34.08 3 4 1 67 436.265 5

Activity (Go SEA)

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