UCSF

ZINC21984466

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 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) 0.93 1.8 -17.46 1 5 0 81 258.295 5
Mid Mid (pH 6-8) 0.93 2.59 -46.07 0 5 -1 84 257.287 5

Activity (Go SEA)

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