UCSF

ZINC40124188

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 32 No

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) 5.77 10.44 -56.09 1 5 -1 78 434.556 7
Lo Low (pH 4.5-6) 5.77 9.68 -11.78 2 5 0 76 435.564 7

Activity (Go SEA)

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