UCSF

ZINC60259047

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 23 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) 3.58 10.59 -42.5 2 2 1 29 325.863 0
Lo Low (pH 4.5-6) 3.58 10.92 -95.6 3 2 2 31 326.871 0

Activity (Go SEA)

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