UCSF

ZINC52546413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 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) 2.97 7.6 -39.46 2 2 1 20 275.441 7
Hi High (pH 8-9.5) 2.97 6.15 -3.19 1 2 0 15 274.433 7
Mid Mid (pH 6-8) 2.97 9.77 -86.19 3 2 2 21 276.449 7

Activity (Go SEA)

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