UCSF

ZINC33910787

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 22 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) -0.66 0.9 -55.03 4 6 1 88 322.41 6
Mid Mid (pH 6-8) -0.66 0.56 -10.74 3 6 0 86 321.402 6

Activity (Go SEA)

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