UCSF

ZINC04515448

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 28 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) 5.27 12.38 -13.11 1 4 0 45 391.54 6
Lo Low (pH 4.5-6) 5.27 12.73 -33.21 2 4 1 46 392.548 6

Activity (Go SEA)

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