UCSF

ZINC37138368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 1.24 4.6 -51.62 3 5 1 66 353.24 2
Mid Mid (pH 6-8) 1.24 3.51 -13.58 2 5 0 61 352.232 2

Activity (Go SEA)

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