UCSF

ZINC39558223

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 28 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) 3.16 4.14 -18.43 4 7 0 114 401.488 6
Mid Mid (pH 6-8) 3.16 4.13 -55.61 3 7 -1 117 400.48 6

Activity (Go SEA)

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