UCSF

ZINC39677972

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 38 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) 1.82 7.36 -50.65 3 8 1 88 521.682 8
Lo Low (pH 4.5-6) 1.82 9.63 -106.7 4 8 2 89 522.69 8

Activity (Go SEA)

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