UCSF

ZINC34841042

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 26 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) 3.97 8.5 -11.74 3 8 0 97 346.35 4
Lo Low (pH 4.5-6) 3.97 8.71 -47.35 4 8 1 98 347.358 4

Activity (Go SEA)

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