UCSF

ZINC41211181

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 15 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) 2.25 5.77 -37.28 0 4 -1 53 201.253 4
Lo Low (pH 4.5-6) 2.25 5.91 -8.79 1 4 0 54 202.261 4

Activity (Go SEA)

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