UCSF

ZINC39554795

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 28 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) 1.77 9.45 -17.21 0 7 0 67 396.52 2
Lo Low (pH 4.5-6) 1.77 9.9 -42.55 1 7 1 68 397.528 2

Activity (Go SEA)

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