UCSF

ZINC33771842

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 No

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) 0.24 6.01 -40.07 4 9 0 144 468.506 8
Hi High (pH 8-9.5) 0.24 3.86 -63.7 3 9 -1 139 467.498 8
Hi High (pH 8-9.5) 0.24 5.67 -93.05 3 9 -1 147 467.498 8
Mid Mid (pH 6-8) 0.24 5.08 -50.51 3 9 -1 139 467.498 8

Activity (Go SEA)

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