UCSF

ZINC49375406

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 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) 3.99 5.81 -43.88 0 3 -1 48 316.736 3
Lo Low (pH 4.5-6) 3.99 5.37 -11.91 1 3 0 46 317.744 3

Activity (Go SEA)

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