UCSF

ZINC43387518

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 0.17 1.82 -50.04 3 4 1 67 226.206 2
Hi High (pH 8-9.5) 0.17 1.49 -5.58 2 4 0 65 225.198 2

Activity (Go SEA)

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