UCSF

ZINC34841574

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 28 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) 5.58 13.87 -36.39 2 2 1 16 385.522 5
Lo Low (pH 4.5-6) 5.58 13.64 -115.25 3 2 2 21 386.53 5

Activity (Go SEA)

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