UCSF

ZINC20140302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 0.92 4.08 -48.85 3 4 1 59 258.276 3
Mid Mid (pH 6-8) 0.92 2.78 -10.29 2 4 0 54 257.268 3
Lo Low (pH 4.5-6) 0.92 3.32 -37.26 3 4 1 55 258.276 3

Activity (Go SEA)

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