UCSF

ZINC62982003

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 14 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) 0.77 4.31 -99.5 3 3 2 29 200.326 3
Mid Mid (pH 6-8) 0.77 2.14 -31.2 2 3 1 28 199.318 3
Mid Mid (pH 6-8) 0.77 1.87 -32.52 2 3 1 28 199.318 3

Activity (Go SEA)

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