UCSF

ZINC20449241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 32 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) 2.26 8.27 -48.89 1 8 1 64 440.568 5
Mid Mid (pH 6-8) 2.26 8.09 -51.64 1 8 1 64 440.568 5
Mid Mid (pH 6-8) 2.26 5.84 -13.71 0 8 0 63 439.56 5

Activity (Go SEA)

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