UCSF

ZINC33681344

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 29 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) 2.13 6.55 -23.51 1 8 0 84 438.937 9
Hi High (pH 8-9.5) 1.94 5.48 -48.32 0 8 -1 90 437.929 9
Mid Mid (pH 6-8) 2.13 8.9 -72.62 2 8 1 85 439.945 9

Activity (Go SEA)

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