UCSF

ZINC38718506

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) 5.10 8.93 -46.43 0 5 -1 66 459.787 4
Lo Low (pH 4.5-6) 5.10 9.37 -43.53 1 5 0 67 460.795 4
Lo Low (pH 4.5-6) 5.10 9.34 -34.71 2 5 1 65 461.803 4
Lo Low (pH 4.5-6) 5.10 8.9 -14.59 1 5 0 64 460.795 4

Activity (Go SEA)

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