UCSF

ZINC33867810

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 18 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) 2.39 8.29 -35.79 2 3 1 39 245.346 3
Mid Mid (pH 6-8) 2.39 7.78 -8.94 1 3 0 38 244.338 3

Activity (Go SEA)

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