UCSF

ZINC34670771

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) 1.97 2.03 -11.08 1 6 0 60 339.432 9
Lo Low (pH 4.5-6) 1.97 4.34 -47.03 2 6 1 62 340.44 9

Activity (Go SEA)

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