UCSF

ZINC39679552

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 31 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) 1.88 5.88 -62.97 1 9 -1 125 449.505 7
Lo Low (pH 4.5-6) 1.88 4.14 -18.32 2 9 0 122 450.513 7

Activity (Go SEA)

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