UCSF

ZINC39675112

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 36 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) 0.33 6.92 -64.68 3 10 1 115 514.054 5
Lo Low (pH 4.5-6) 0.33 7.06 -104.86 4 10 2 116 515.062 5

Activity (Go SEA)

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