UCSF

ZINC44455969

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2010 18 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) 0.63 1.68 -12.8 1 6 0 62 257.334 6
Mid Mid (pH 6-8) 0.63 3.9 -52.04 2 6 1 63 258.342 6

Activity (Go SEA)

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