UCSF

ZINC33916413

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 32 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) -0.34 5.54 -35.73 4 9 0 144 440.452 6
Hi High (pH 8-9.5) -0.34 4.41 -52.04 3 9 -1 139 439.444 6
Mid Mid (pH 6-8) -0.34 3.94 -55.28 3 9 -1 139 439.444 6

Activity (Go SEA)

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