UCSF

ZINC34670936

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 23 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) 2.08 2.8 -9.96 1 5 0 51 327.396 8
Lo Low (pH 4.5-6) 2.08 5.11 -47.52 2 5 1 52 328.404 8

Activity (Go SEA)

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