UCSF

ZINC34999175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 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) -0.80 2.48 -79.31 5 8 1 120 419.498 5
Hi High (pH 8-9.5) -0.80 1.67 -85.81 4 8 0 116 418.49 5
Hi High (pH 8-9.5) -0.80 -0.08 -58.7 3 8 -1 114 417.482 5
Mid Mid (pH 6-8) -0.80 0.75 -37.97 4 8 0 119 418.49 5

Activity (Go SEA)

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