UCSF

ZINC38718516

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 27 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) 4.52 9.49 -19.19 1 5 0 64 399.541 6
Hi High (pH 8-9.5) 4.52 9.61 -60.15 0 5 -1 66 398.533 6
Lo Low (pH 4.5-6) 4.52 9.93 -37.95 2 5 1 65 400.549 6

Activity (Go SEA)

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