UCSF

ZINC38754151

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 31 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) 4.92 10.87 -58.9 0 5 -1 69 455.987 6
Mid Mid (pH 6-8) 4.92 10.44 -18.26 1 5 0 66 456.995 6

Activity (Go SEA)

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