UCSF

ZINC20460431

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) 2.83 5.64 -50.61 1 8 -1 115 470.552 7
Mid Mid (pH 6-8) 2.83 5.57 -21.63 2 8 0 113 471.56 7

Activity (Go SEA)

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