UCSF

ZINC34842914

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 27 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) 2.39 10.11 -21.08 2 10 0 115 368.401 5
Hi High (pH 8-9.5) 2.02 8.35 -61.72 1 10 -1 122 367.393 6

Activity (Go SEA)

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