UCSF

ZINC33823870

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 28 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) 2.37 3.96 -12.89 1 7 0 67 387.48 6
Mid Mid (pH 6-8) 2.37 6.23 -44.71 2 7 1 68 388.488 6
Lo Low (pH 4.5-6) 2.37 6.79 -39.15 2 7 1 68 388.488 6

Activity (Go SEA)

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