UCSF

ZINC34670986

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.78 3.85 -8.73 1 5 0 51 337.46 8
Lo Low (pH 4.5-6) 2.78 6.17 -43.61 2 5 1 52 338.468 8

Activity (Go SEA)

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