UCSF

ZINC39724202

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 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) 5.69 9.66 -13.05 1 4 0 55 473.577 3
Mid Mid (pH 6-8) 5.76 8.71 -45.17 0 4 -1 61 472.569 3

Activity (Go SEA)

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