UCSF

ZINC36683646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 19 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) 2.55 8 -35.31 3 2 1 30 277.75 2
Mid Mid (pH 6-8) 2.55 5.42 -4.1 2 2 0 29 276.742 2

Activity (Go SEA)

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