UCSF

ZINC39677981

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 39 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) 1.96 8.65 -51.58 3 8 1 91 528.677 6
Lo Low (pH 4.5-6) 1.96 10.91 -108.45 4 8 2 93 529.685 6

Activity (Go SEA)

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