UCSF

ZINC05846385

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 24 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) 4.34 10.9 -37.85 2 3 1 34 323.46 6
Hi High (pH 8-9.5) 4.34 8.9 -10.34 1 3 0 32 322.452 6

Activity (Go SEA)

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