UCSF

ZINC34646398

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) 3.74 11.02 -139.31 0 4 -2 80 330.424 2
Lo Low (pH 4.5-6) 3.74 9.05 -62.4 1 4 -1 77 331.432 2

Activity (Go SEA)

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