UCSF

ZINC37056930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.86 3 -48.11 1 7 -1 113 290.248 6
Mid Mid (pH 6-8) 0.86 3.06 -107.68 0 7 -2 115 289.24 6

Activity (Go SEA)

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