UCSF

ZINC49354655

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 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) 1.09 3.91 -10.49 1 5 0 58 262.338 3
Lo Low (pH 4.5-6) 1.09 4.35 -29.62 2 5 1 59 263.346 3

Activity (Go SEA)

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