UCSF

ZINC39327230

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 No

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) 2.45 5.74 -12.43 3 7 0 114 372.384 4
Lo Low (pH 4.5-6) 2.45 6.15 -53.07 4 7 1 116 373.392 4

Activity (Go SEA)

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